1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrrole-2-carboxamide

C14H22N2O2 — CID 114179190

IUPAC1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)NC1CCCCC1CO
InChIInChI=1S/C14H22N2O2/c1-2-16-9-5-8-13(16)14(18)15-12-7-4-3-6-11(12)10-17/h5,8-9,11-12,17H,2-4,6-7,10H2,1H3,(H,15,18)
InChIKeyLLJDRYZBBZRXHH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.79
Rot. Bonds4

About 1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrrole-2-carboxamide

1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrrole-2-carboxamide (PubChem CID 114179190) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrrole-2-carboxamide
PubChem CID114179190
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)NC1CCCCC1CO
InChIInChI=1S/C14H22N2O2/c1-2-16-9-5-8-13(16)14(18)15-12-7-4-3-6-11(12)10-17/h5,8-9,11-12,17H,2-4,6-7,10H2,1H3,(H,15,18)
InChIKeyLLJDRYZBBZRXHH-UHFFFAOYSA-N
XLogP1.79
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-1-ethylpyrrole-2-carboxamide
CID 93451491
N-[2-(hydroxymethyl)cyclopentyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 103873957
N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114610419
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
1,3-diethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide
CID 106364536
3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103798593
4-bromo-1-ethyl-N-(2-ethylcyclohexyl)pyrrole-2-carboxamide
CID 55222795
2-(ethylamino)-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 106362523
4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide
CID 103798607
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
CID 103798546
2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103951112
N-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide
CID 106367893

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrrole-2-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrrole-2-carboxamide (CID 114179190) is 1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrrole-2-carboxamide is CCn1cccc1C(=O)NC1CCCCC1CO.
What is the InChIKey of 1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrrole-2-carboxamide?
The InChIKey is LLJDRYZBBZRXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-16-9-5-8-13(16)14(18)15-12-7-4-3-6-11(12)10-17/h5,8-9,11-12,17H,2-4,6-7,10H2,1H3,(H,15,18).
What are the key properties of 1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrrole-2-carboxamide?
1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrrole-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrrole-2-carboxamide is sourced from PubChem (CID 114179190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).