N-[2-(cyclohexanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide

C18H22N2O3 — CID 68725879

IUPACN-[2-(cyclohexanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide
SMILESO=C(NCCNC(=O)C1CCCCC1)c1cccc2occc12
InChIInChI=1S/C18H22N2O3/c21-17(13-5-2-1-3-6-13)19-10-11-20-18(22)15-7-4-8-16-14(15)9-12-23-16/h4,7-9,12-13H,1-3,5-6,10-11H2,(H,19,21)(H,20,22)
InChIKeyKATAYZWWFJBODF-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.86
Rot. Bonds5

About N-[2-(cyclohexanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide

N-[2-(cyclohexanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide (PubChem CID 68725879) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[2-(cyclohexanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide
PubChem CID68725879
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[2-(cyclohexanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide
SMILESO=C(NCCNC(=O)C1CCCCC1)c1cccc2occc12
InChIInChI=1S/C18H22N2O3/c21-17(13-5-2-1-3-6-13)19-10-11-20-18(22)15-7-4-8-16-14(15)9-12-23-16/h4,7-9,12-13H,1-3,5-6,10-11H2,(H,19,21)(H,20,22)
InChIKeyKATAYZWWFJBODF-UHFFFAOYSA-N
XLogP2.86
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(cyclohexanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide 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-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide
CID 68724609
N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide
CID 108538982
N-[[(2S)-azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 67018181
N-(azetidin-2-ylmethyl)-1-benzofuran-4-carboxamide;hydrochloride
CID 67018178
2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide
CID 106687261
2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 115747449
N-[2-(furan-2-yl)ethyl]cyclopentanecarboxamide
CID 110733508
N-[2-(cyclohex-3-ene-1-carbonylamino)ethyl]-2,6-difluorobenzamide
CID 56789006
N-[2-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]ethyl]-2,6-difluorobenzamide
CID 95624826
N-[2-(cyclohexanecarbonylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 55855187
N-[2-(cyclohexanecarbonylamino)ethyl]-3,5-dihydroxybenzamide
CID 108538987
N-(2-naphthalen-1-ylethyl)cyclohexanecarboxamide
CID 19963481

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide?
The IUPAC name of N-[2-(cyclohexanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide (CID 68725879) is N-[2-(cyclohexanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide is O=C(NCCNC(=O)C1CCCCC1)c1cccc2occc12.
What is the InChIKey of N-[2-(cyclohexanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide?
The InChIKey is KATAYZWWFJBODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-17(13-5-2-1-3-6-13)19-10-11-20-18(22)15-7-4-8-16-14(15)9-12-23-16/h4,7-9,12-13H,1-3,5-6,10-11H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-(cyclohexanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide?
N-[2-(cyclohexanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide is sourced from PubChem (CID 68725879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).