4-acetyl-N-(cyclohexylmethyl)-N-methyl-1H-pyrrole-2-carboxamide

C15H22N2O2 — CID 36555948

IUPAC4-acetyl-N-(cyclohexylmethyl)-N-methyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)N(C)CC2CCCCC2)c1
InChIInChI=1S/C15H22N2O2/c1-11(18)13-8-14(16-9-13)15(19)17(2)10-12-6-4-3-5-7-12/h8-9,12,16H,3-7,10H2,1-2H3
InChIKeyBRMSRUALVRPIKQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.87
Rot. Bonds4

About 4-acetyl-N-(cyclohexylmethyl)-N-methyl-1H-pyrrole-2-carboxamide

4-acetyl-N-(cyclohexylmethyl)-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 36555948) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-acetyl-N-(cyclohexylmethyl)-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(cyclohexylmethyl)-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID36555948
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-acetyl-N-(cyclohexylmethyl)-N-methyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)N(C)CC2CCCCC2)c1
InChIInChI=1S/C15H22N2O2/c1-11(18)13-8-14(16-9-13)15(19)17(2)10-12-6-4-3-5-7-12/h8-9,12,16H,3-7,10H2,1-2H3
InChIKeyBRMSRUALVRPIKQ-UHFFFAOYSA-N
XLogP2.87
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride
CID 65367180
4-chloro-N-methyl-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide
CID 79721407
N-(cyclohexylmethyl)-4-hydroxy-N-methylbenzamide
CID 54948596
N-methyl-4-nitro-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide
CID 79716251
4-acetyl-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 64928677
4-acetyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 64512374
4-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 63274163
1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 54878244
4-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 55580589
4-bromo-N-methyl-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 61244501
4-acetyl-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
CID 24546550
1-[5-[(3R)-3-ethylsulfanylazepane-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 95622903

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(cyclohexylmethyl)-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(cyclohexylmethyl)-N-methyl-1H-pyrrole-2-carboxamide (CID 36555948) is 4-acetyl-N-(cyclohexylmethyl)-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(cyclohexylmethyl)-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(cyclohexylmethyl)-N-methyl-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)N(C)CC2CCCCC2)c1.
What is the InChIKey of 4-acetyl-N-(cyclohexylmethyl)-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is BRMSRUALVRPIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(18)13-8-14(16-9-13)15(19)17(2)10-12-6-4-3-5-7-12/h8-9,12,16H,3-7,10H2,1-2H3.
What are the key properties of 4-acetyl-N-(cyclohexylmethyl)-N-methyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-(cyclohexylmethyl)-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(cyclohexylmethyl)-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 36555948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).