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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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).