4-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethyl]benzoic acid

C22H30N2O4 — CID 119168864

IUPAC4-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)C2CCC(NC(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C22H30N2O4/c25-20(23-14-13-15-5-7-18(8-6-15)22(27)28)17-9-11-19(12-10-17)24-21(26)16-3-1-2-4-16/h5-8,16-17,19H,1-4,9-14H2,(H,23,25)(H,24,26)(H,27,28)
InChIKeyZBEZGVZSLJJYMQ-UHFFFAOYSA-N
MW386.49 g/mol
LogP2.91
Rot. Bonds7

About 4-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethyl]benzoic acid

4-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethyl]benzoic acid (PubChem CID 119168864) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 4-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethyl]benzoic acid
PubChem CID119168864
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name4-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)C2CCC(NC(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C22H30N2O4/c25-20(23-14-13-15-5-7-18(8-6-15)22(27)28)17-9-11-19(12-10-17)24-21(26)16-3-1-2-4-16/h5-8,16-17,19H,1-4,9-14H2,(H,23,25)(H,24,26)(H,27,28)
InChIKeyZBEZGVZSLJJYMQ-UHFFFAOYSA-N
XLogP2.91
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethyl]benzoic 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

4-[2-(piperidine-4-carbonylamino)ethyl]benzoic acid
CID 61161224
N-[2-(4-hydroxyphenyl)ethyl]cyclooctanecarboxamide
CID 65023099
4-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229257
3-[2-(cycloheptanecarbonylamino)ethyl]benzoic acid
CID 63795982
4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid
CID 103869402
3-[2-(cyclohexanecarbonylamino)ethyl]benzoic acid
CID 63795104
4-[2-[(1-propanoylpiperidine-2-carbonyl)amino]ethyl]benzoic acid
CID 119168696
N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride
CID 119260663
4-[2-[(1,1-dioxothiane-2-carbonyl)amino]ethyl]benzoic acid
CID 120512996
4-[3-[[4-(methylcarbamoyl)cyclohexyl]amino]-3-oxopropyl]benzoic acid
CID 120549642
N-[2-[4-(2-nitroacetyl)phenyl]ethyl]cyclooctanecarboxamide
CID 155248258
4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid
CID 71874985

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethyl]benzoic acid (CID 119168864) is 4-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethyl]benzoic acid is O=C(O)c1ccc(CCNC(=O)C2CCC(NC(=O)C3CCCC3)CC2)cc1.
What is the InChIKey of 4-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethyl]benzoic acid?
The InChIKey is ZBEZGVZSLJJYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c25-20(23-14-13-15-5-7-18(8-6-15)22(27)28)17-9-11-19(12-10-17)24-21(26)16-3-1-2-4-16/h5-8,16-17,19H,1-4,9-14H2,(H,23,25)(H,24,26)(H,27,28).
What are the key properties of 4-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethyl]benzoic acid?
4-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethyl]benzoic acid has a molecular weight of 386.49 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethyl]benzoic acid is sourced from PubChem (CID 119168864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).