1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid

C17H23NO3 — CID 43341634

IUPAC1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid
SMILESCCc1ccc(C(=O)NC2(C(=O)O)CCCCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-2-13-7-9-14(10-8-13)15(19)18-17(16(20)21)11-5-3-4-6-12-17/h7-10H,2-6,11-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyNDXWRXHAWRVLOK-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.16
Rot. Bonds4

About 1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid

1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 43341634) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid
PubChem CID43341634
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid
SMILESCCc1ccc(C(=O)NC2(C(=O)O)CCCCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-2-13-7-9-14(10-8-13)15(19)18-17(16(20)21)11-5-3-4-6-12-17/h7-10H,2-6,11-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyNDXWRXHAWRVLOK-UHFFFAOYSA-N
XLogP3.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic 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

1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176767
1-[(4-ethylbenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61291254
1-[[4-(methylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 43351099
1-(4-ethylanilino)cyclohexane-1-carboxylic acid
CID 71564845
2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671366
2-[1-[(4-ethylbenzoyl)amino]cyclopentyl]acetic acid
CID 64673374
1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351071
1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 45427620
1-[[(4-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81369298
1-[(4-cyanobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 24705520
1-[(4-iodobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158516
1-[(3,4-dihydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 67604335

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid (CID 43341634) is 1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid is CCc1ccc(C(=O)NC2(C(=O)O)CCCCCC2)cc1.
What is the InChIKey of 1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is NDXWRXHAWRVLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-13-7-9-14(10-8-13)15(19)18-17(16(20)21)11-5-3-4-6-12-17/h7-10H,2-6,11-12H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid?
1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43341634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).