2-[[4-(3-cyclohexylbutanoylamino)benzoyl]amino]acetic acid

C19H26N2O4 — CID 119220363

IUPAC2-[[4-(3-cyclohexylbutanoylamino)benzoyl]amino]acetic acid
SMILESCC(CC(=O)Nc1ccc(C(=O)NCC(=O)O)cc1)C1CCCCC1
InChIInChI=1S/C19H26N2O4/c1-13(14-5-3-2-4-6-14)11-17(22)21-16-9-7-15(8-10-16)19(25)20-12-18(23)24/h7-10,13-14H,2-6,11-12H2,1H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyJASOVAHNOXPMAR-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.05
Rot. Bonds7

About 2-[[4-(3-cyclohexylbutanoylamino)benzoyl]amino]acetic acid

2-[[4-(3-cyclohexylbutanoylamino)benzoyl]amino]acetic acid (PubChem CID 119220363) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[[4-(3-cyclohexylbutanoylamino)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(3-cyclohexylbutanoylamino)benzoyl]amino]acetic acid
PubChem CID119220363
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-[[4-(3-cyclohexylbutanoylamino)benzoyl]amino]acetic acid
SMILESCC(CC(=O)Nc1ccc(C(=O)NCC(=O)O)cc1)C1CCCCC1
InChIInChI=1S/C19H26N2O4/c1-13(14-5-3-2-4-6-14)11-17(22)21-16-9-7-15(8-10-16)19(25)20-12-18(23)24/h7-10,13-14H,2-6,11-12H2,1H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyJASOVAHNOXPMAR-UHFFFAOYSA-N
XLogP3.05
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(3-cyclohexylbutanoylamino)benzoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119714137
2-[[4-(3-methylhexanoylamino)benzoyl]amino]acetic acid
CID 119220462
N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119698553
2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid
CID 119220510
2-[[4-(3-cyclobutylpropanoylamino)benzoyl]amino]acetic acid
CID 120522605
N-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119743419
N-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119749180
N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54816270
2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetic acid
CID 24694310
4-(3-piperidin-3-ylbutanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119885625
2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid
CID 43465277
2-[(4-cyclohexylbenzoyl)amino]acetic acid
CID 82485147

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-cyclohexylbutanoylamino)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-(3-cyclohexylbutanoylamino)benzoyl]amino]acetic acid (CID 119220363) is 2-[[4-(3-cyclohexylbutanoylamino)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(3-cyclohexylbutanoylamino)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(3-cyclohexylbutanoylamino)benzoyl]amino]acetic acid is CC(CC(=O)Nc1ccc(C(=O)NCC(=O)O)cc1)C1CCCCC1.
What is the InChIKey of 2-[[4-(3-cyclohexylbutanoylamino)benzoyl]amino]acetic acid?
The InChIKey is JASOVAHNOXPMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13(14-5-3-2-4-6-14)11-17(22)21-16-9-7-15(8-10-16)19(25)20-12-18(23)24/h7-10,13-14H,2-6,11-12H2,1H3,(H,20,25)(H,21,22)(H,23,24).
What are the key properties of 2-[[4-(3-cyclohexylbutanoylamino)benzoyl]amino]acetic acid?
2-[[4-(3-cyclohexylbutanoylamino)benzoyl]amino]acetic acid has a molecular weight of 346.43 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-cyclohexylbutanoylamino)benzoyl]amino]acetic acid is sourced from PubChem (CID 119220363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).