4-(cyclohexanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide

C17H20N2O3 — CID 1482729

IUPAC4-(cyclohexanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc(C(=O)C2CCCCC2)c[nH]1
InChIInChI=1S/C17H20N2O3/c20-16(12-5-2-1-3-6-12)13-9-15(18-10-13)17(21)19-11-14-7-4-8-22-14/h4,7-10,12,18H,1-3,5-6,11H2,(H,19,21)
InChIKeyFEQPJJWICRLCHD-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.30
Rot. Bonds5

About 4-(cyclohexanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide

4-(cyclohexanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 1482729) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-(cyclohexanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID1482729
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name4-(cyclohexanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc(C(=O)C2CCCCC2)c[nH]1
InChIInChI=1S/C17H20N2O3/c20-16(12-5-2-1-3-6-12)13-9-15(18-10-13)17(21)19-11-14-7-4-8-22-14/h4,7-10,12,18H,1-3,5-6,11H2,(H,19,21)
InChIKeyFEQPJJWICRLCHD-UHFFFAOYSA-N
XLogP3.30
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-{2-Furan-2-yl-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 2874943
2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
CID 2227674
4-acetyl-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 1489221
N-{2-Furan-2-yl-1-[(pyridin-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5765254
N-[(1Z)-1-(furan-2-yl)-3-oxo-3-{[2-(pyridin-2-yl)ethyl]amino}prop-1-en-2-yl]benzamide
CID 5765256
N-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1H-pyrrole-2-carboxamide
CID 1489193
N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 3196508
(2R)-N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 10671411
4-(cyclopropylcarbonyl)-N-(4-methoxybenzyl)-1H-pyrrole-2-carboxamide
CID 1489263
4-(cyclohexylcarbonyl)-N-(tetrahydro-2-furanylmethyl)-1H-pyrrole-2-carboxamide
CID 2766018
2-[3-(furan-2-ylcarbonyl)-1H-indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 3157244
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(furan-2-ylmethyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 3180466

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(cyclohexanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide (CID 1482729) is 4-(cyclohexanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(cyclohexanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(cyclohexanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide is O=C(NCc1ccco1)c1cc(C(=O)C2CCCCC2)c[nH]1.
What is the InChIKey of 4-(cyclohexanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is FEQPJJWICRLCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-16(12-5-2-1-3-6-12)13-9-15(18-10-13)17(21)19-11-14-7-4-8-22-14/h4,7-10,12,18H,1-3,5-6,11H2,(H,19,21).
What are the key properties of 4-(cyclohexanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
4-(cyclohexanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 1482729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).