N-(1-benzofuran-2-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide

C20H26N2O2 — CID 131897762

IUPACN-(1-benzofuran-2-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
SMILESO=C(NCc1cc2ccccc2o1)C1(N2CCCC2)CCCCC1
InChIInChI=1S/C20H26N2O2/c23-19(20(10-4-1-5-11-20)22-12-6-7-13-22)21-15-17-14-16-8-2-3-9-18(16)24-17/h2-3,8-9,14H,1,4-7,10-13,15H2,(H,21,23)
InChIKeyMUEPGQSGDINMJB-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.85
Rot. Bonds4

About N-(1-benzofuran-2-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide

N-(1-benzofuran-2-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide (PubChem CID 131897762) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
PubChem CID131897762
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(1-benzofuran-2-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
SMILESO=C(NCc1cc2ccccc2o1)C1(N2CCCC2)CCCCC1
InChIInChI=1S/C20H26N2O2/c23-19(20(10-4-1-5-11-20)22-12-6-7-13-22)21-15-17-14-16-8-2-3-9-18(16)24-17/h2-3,8-9,14H,1,4-7,10-13,15H2,(H,21,23)
InChIKeyMUEPGQSGDINMJB-UHFFFAOYSA-N
XLogP3.85
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-2-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 172889121
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CID 118766127
5-[[(1-morpholin-4-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 90652941
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-[(3-phenoxyphenyl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 118762065
1-(1-benzofuran-2-ylmethyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924364
N-(1-benzofuran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine
CID 28657641
1-(1-benzofuran-2-ylmethyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)urea
CID 71941289
N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 91836336
1-piperidin-1-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 91774810
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 77081858
N-(1-benzofuran-2-ylmethyl)-2-cyclohexyloxyacetamide
CID 87001290

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide (CID 131897762) is N-(1-benzofuran-2-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide is O=C(NCc1cc2ccccc2o1)C1(N2CCCC2)CCCCC1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The InChIKey is MUEPGQSGDINMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-19(20(10-4-1-5-11-20)22-12-6-7-13-22)21-15-17-14-16-8-2-3-9-18(16)24-17/h2-3,8-9,14H,1,4-7,10-13,15H2,(H,21,23).
What are the key properties of N-(1-benzofuran-2-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
N-(1-benzofuran-2-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 131897762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).