2-[(4-cyclohexylbenzoyl)amino]acetic acid

C15H19NO3 — CID 82485147

IUPAC2-[(4-cyclohexylbenzoyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H19NO3/c17-14(18)10-16-15(19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,16,19)(H,17,18)
InChIKeyALMWJTCURWPAJA-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.55
Rot. Bonds4

About 2-[(4-cyclohexylbenzoyl)amino]acetic acid

2-[(4-cyclohexylbenzoyl)amino]acetic acid (PubChem CID 82485147) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(4-cyclohexylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-cyclohexylbenzoyl)amino]acetic acid
PubChem CID82485147
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[(4-cyclohexylbenzoyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H19NO3/c17-14(18)10-16-15(19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,16,19)(H,17,18)
InChIKeyALMWJTCURWPAJA-UHFFFAOYSA-N
XLogP2.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(4-cyclopentylbenzoyl)amino]acetate
CID 110487395
ethyl 2-[(4-cyclohexylbenzoyl)amino]acetate
CID 60547206
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CID 18162781
4-cyclohexyl-N-(2,2,2-trifluoroethyl)benzamide
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4-cyclohexyl-N'-methylbenzohydrazide
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4-cyclohexyl-N-[2-(ethylamino)ethyl]benzamide
CID 119504655
N-(2-amino-2-methylpropyl)-4-cyclohexylbenzamide;hydrochloride
CID 119625808
4-cyclohexyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 43021818
N-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide
CID 119995934
4-(carboxymethylcarbamoyl)benzoic acid
CID 166957862
4-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide
CID 177025160
1-(4-cyclohexylphenyl)-2-(methylamino)ethanone
CID 82082215

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclohexylbenzoyl)amino]acetic acid?
The IUPAC name of 2-[(4-cyclohexylbenzoyl)amino]acetic acid (CID 82485147) is 2-[(4-cyclohexylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-cyclohexylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(4-cyclohexylbenzoyl)amino]acetic acid is O=C(O)CNC(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-[(4-cyclohexylbenzoyl)amino]acetic acid?
The InChIKey is ALMWJTCURWPAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-14(18)10-16-15(19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,16,19)(H,17,18).
What are the key properties of 2-[(4-cyclohexylbenzoyl)amino]acetic acid?
2-[(4-cyclohexylbenzoyl)amino]acetic acid has a molecular weight of 261.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclohexylbenzoyl)amino]acetic acid is sourced from PubChem (CID 82485147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).