3-(3-cyclohexylpropanoylamino)-N-phenyl-1-benzofuran-2-carboxamide

C24H26N2O3 — CID 7159624

IUPAC3-(3-cyclohexylpropanoylamino)-N-phenyl-1-benzofuran-2-carboxamide
SMILESO=C(CCC1CCCCC1)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12
InChIInChI=1S/C24H26N2O3/c27-21(16-15-17-9-3-1-4-10-17)26-22-19-13-7-8-14-20(19)29-23(22)24(28)25-18-11-5-2-6-12-18/h2,5-8,11-14,17H,1,3-4,9-10,15-16H2,(H,25,28)(H,26,27)
InChIKeyDRCDGOOGYUHGJQ-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.98
Rot. Bonds6

About 3-(3-cyclohexylpropanoylamino)-N-phenyl-1-benzofuran-2-carboxamide

3-(3-cyclohexylpropanoylamino)-N-phenyl-1-benzofuran-2-carboxamide (PubChem CID 7159624) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-(3-cyclohexylpropanoylamino)-N-phenyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(3-cyclohexylpropanoylamino)-N-phenyl-1-benzofuran-2-carboxamide
PubChem CID7159624
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name3-(3-cyclohexylpropanoylamino)-N-phenyl-1-benzofuran-2-carboxamide
SMILESO=C(CCC1CCCCC1)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12
InChIInChI=1S/C24H26N2O3/c27-21(16-15-17-9-3-1-4-10-17)26-22-19-13-7-8-14-20(19)29-23(22)24(28)25-18-11-5-2-6-12-18/h2,5-8,11-14,17H,1,3-4,9-10,15-16H2,(H,25,28)(H,26,27)
InChIKeyDRCDGOOGYUHGJQ-UHFFFAOYSA-N
XLogP5.98
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-3-[(2-cyclohexylacetyl)amino]-1-benzofuran-2-carboxamide
CID 7501810
3-[(2-cyclopentylacetyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7159878
3-cyclopropyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]propanamide
CID 71931115
N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814295
3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 16814293
3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7117000
ethyl 3-[[2-(3-cyclopentylpropanoyloxy)acetyl]amino]-1-benzofuran-2-carboxylate
CID 5019604
3-(cyclopentanecarbonylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 3241032
3-[(2-cyclopentylacetyl)amino]-N-(2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 7160217
3-(butanoylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 7160085
3-(cyclopentanecarbonylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 7160097
3-cyclohexyl-N-(4-sulfanylphenyl)propanamide
CID 27125888

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclohexylpropanoylamino)-N-phenyl-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(3-cyclohexylpropanoylamino)-N-phenyl-1-benzofuran-2-carboxamide (CID 7159624) is 3-(3-cyclohexylpropanoylamino)-N-phenyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(3-cyclohexylpropanoylamino)-N-phenyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(3-cyclohexylpropanoylamino)-N-phenyl-1-benzofuran-2-carboxamide is O=C(CCC1CCCCC1)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12.
What is the InChIKey of 3-(3-cyclohexylpropanoylamino)-N-phenyl-1-benzofuran-2-carboxamide?
The InChIKey is DRCDGOOGYUHGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c27-21(16-15-17-9-3-1-4-10-17)26-22-19-13-7-8-14-20(19)29-23(22)24(28)25-18-11-5-2-6-12-18/h2,5-8,11-14,17H,1,3-4,9-10,15-16H2,(H,25,28)(H,26,27).
What are the key properties of 3-(3-cyclohexylpropanoylamino)-N-phenyl-1-benzofuran-2-carboxamide?
3-(3-cyclohexylpropanoylamino)-N-phenyl-1-benzofuran-2-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 5.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclohexylpropanoylamino)-N-phenyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7159624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).