1-cyclobutyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyrrole-2-carboxamide

C17H26N2O2 — CID 114609576

IUPAC1-cyclobutyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyrrole-2-carboxamide
SMILESCC1CCCC(CO)(NC(=O)c2cccn2C2CCC2)C1
InChIInChI=1S/C17H26N2O2/c1-13-5-3-9-17(11-13,12-20)18-16(21)15-8-4-10-19(15)14-6-2-7-14/h4,8,10,13-14,20H,2-3,5-7,9,11-12H2,1H3,(H,18,21)
InChIKeyNYGHNYSVFUTCLT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.88
Rot. Bonds4

About 1-cyclobutyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyrrole-2-carboxamide

1-cyclobutyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyrrole-2-carboxamide (PubChem CID 114609576) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-cyclobutyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyrrole-2-carboxamide
PubChem CID114609576
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-cyclobutyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyrrole-2-carboxamide
SMILESCC1CCCC(CO)(NC(=O)c2cccn2C2CCC2)C1
InChIInChI=1S/C17H26N2O2/c1-13-5-3-9-17(11-13,12-20)18-16(21)15-8-4-10-19(15)14-6-2-7-14/h4,8,10,13-14,20H,2-3,5-7,9,11-12H2,1H3,(H,18,21)
InChIKeyNYGHNYSVFUTCLT-UHFFFAOYSA-N
XLogP2.88
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-1-cyclobutylpyrrole-2-carboxamide
CID 114610311
2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107690075
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide
CID 62526843
methyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
CID 114610705
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide
CID 62527012
2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide
CID 81479815
5-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 62527720
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-3-carboxamide
CID 62525635
2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide
CID 62527090
3-ethyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 62527564
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide
CID 62526492
2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527722

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyrrole-2-carboxamide?
The IUPAC name of 1-cyclobutyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyrrole-2-carboxamide (CID 114609576) is 1-cyclobutyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclobutyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclobutyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyrrole-2-carboxamide is CC1CCCC(CO)(NC(=O)c2cccn2C2CCC2)C1.
What is the InChIKey of 1-cyclobutyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyrrole-2-carboxamide?
The InChIKey is NYGHNYSVFUTCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-5-3-9-17(11-13,12-20)18-16(21)15-8-4-10-19(15)14-6-2-7-14/h4,8,10,13-14,20H,2-3,5-7,9,11-12H2,1H3,(H,18,21).
What are the key properties of 1-cyclobutyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyrrole-2-carboxamide?
1-cyclobutyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyrrole-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyrrole-2-carboxamide is sourced from PubChem (CID 114609576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).