4-acetyl-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide

C14H20N2O3 — CID 64928677

IUPAC4-acetyl-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCC2CCCCC2O)c1
InChIInChI=1S/C14H20N2O3/c1-9(17)11-6-12(15-8-11)14(19)16-7-10-4-2-3-5-13(10)18/h6,8,10,13,15,18H,2-5,7H2,1H3,(H,16,19)
InChIKeyJEUHLMGJOXLJES-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.50
Rot. Bonds4

About 4-acetyl-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide

4-acetyl-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 64928677) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-acetyl-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID64928677
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-acetyl-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCC2CCCCC2O)c1
InChIInChI=1S/C14H20N2O3/c1-9(17)11-6-12(15-8-11)14(19)16-7-10-4-2-3-5-13(10)18/h6,8,10,13,15,18H,2-5,7H2,1H3,(H,16,19)
InChIKeyJEUHLMGJOXLJES-UHFFFAOYSA-N
XLogP1.50
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 64927605
4-bromo-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 64913420
N-[(2-hydroxycyclohexyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 64912798
4-acetyl-N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide
CID 43392898
4-acetyl-1H-pyrrole-2-carbohydrazide
CID 2768115
4-acetyl-N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 94799655
4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
CID 83039375
N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide
CID 107031044
4-acetyl-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide
CID 43394553
N-[(2-hydroxycyclopentyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113247272
2-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrrole-2,4-dicarboxamide
CID 167870611
3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64910898

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide (CID 64928677) is 4-acetyl-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)NCC2CCCCC2O)c1.
What is the InChIKey of 4-acetyl-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is JEUHLMGJOXLJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(17)11-6-12(15-8-11)14(19)16-7-10-4-2-3-5-13(10)18/h6,8,10,13,15,18H,2-5,7H2,1H3,(H,16,19).
What are the key properties of 4-acetyl-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 64928677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).