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4-tert-butylcyclohexyl 3-[(2-methylphenyl)carbamoyl]propanoate

4-tert-butylcyclohexyl 3-[(2-methylphenyl)carbamoyl]propanoate

Formula: C21H31NO3

SMILES: CC1=CC=CC=C1NC(=O)CCC(=O)OC1CCC(CC1)C(C)(C)C

IUPAC: 4-tert-butylcyclohexyl 3-[(2-methylphenyl)carbamoyl]propanoate

InChI: InChI=1S/C21H31NO3/c1-15-7-5-6-8-18(15)22-19(23)13-14-20(24)25-17-11-9-16(10-12-17)21(2,3)4/h5-8,16-17H,9-14H2,1-4H3,(H,22,23)

Composition: C (73.01%), H (9.04%), N (4.05%), O (13.89%)

Molar Mass: 345.483

Atom Count: 56

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 345.230393862
Formal Charge 0
FSP3 0.62
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey CPCAVNVVWOHDKW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.81
Topological Polar Surface Area 55.4
Polarizability 39.11
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H31NO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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