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4-{[3-(butylcarbamoyl)phenyl]carbamoyl}butanoic acid

4-{[3-(butylcarbamoyl)phenyl]carbamoyl}butanoic acid

CAS: 940536-60-7

Formula: C16H22N2O4

SMILES: CCCCNC(=O)C1=CC=CC(NC(=O)CCCC(O)=O)=C1

IUPAC: 4-{[3-(butylcarbamoyl)phenyl]carbamoyl}butanoic acid

InChI: InChI=1S/C16H22N2O4/c1-2-3-10-17-16(22)12-6-4-7-13(11-12)18-14(19)8-5-9-15(20)21/h4,6-7,11H,2-3,5,8-10H2,1H3,(H,17,22)(H,18,19)(H,20,21)

Composition: C (62.73%), H (7.24%), N (9.14%), O (20.89%)

Molar Mass: 306.362

Atom Count: 44

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 306.157957196
Formal Charge 0
FSP3 0.44
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey LLCXKALPKQDOFF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.26
Topological Polar Surface Area 95.5
Polarizability 31.48
Ring Count 1
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 940536-60-7 $141.17-$217.11$141.17$217.11
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