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2-{[4-(2-methylpropanamido)phenyl]carbamoyl}cyclohexane-1-carboxylic acid

2-{[4-(2-methylpropanamido)phenyl]carbamoyl}cyclohexane-1-carboxylic acid

CAS: 925192-74-1

Formula: C18H24N2O4

SMILES: CC(C)C(=O)NC1=CC=C(NC(=O)C2CCCCC2C(O)=O)C=C1

IUPAC: 2-{[4-(2-methylpropanamido)phenyl]carbamoyl}cyclohexane-1-carboxylic acid

InChI: InChI=1/C18H24N2O4/c1-11(2)16(21)19-12-7-9-13(10-8-12)20-17(22)14-5-3-4-6-15(14)18(23)24/h7-11,14-15H,3-6H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)

Composition: C (65.04%), H (7.28%), N (8.43%), O (19.25%)

Molar Mass: 332.4

Atom Count: 48

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 332.173607261
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey ZRYUGWZGHJPHCX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 92.43
Topological Polar Surface Area 95.5
Polarizability 34.63
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 925192-74-1 $141.17-$217.11$141.17$217.11
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