N-butyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide

C17H28N2O — CID 90909354

IUPACN-butyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
SMILESCCCCNC(=O)c1ccn(CC2CCCCC2)c1C
InChIInChI=1S/C17H28N2O/c1-3-4-11-18-17(20)16-10-12-19(14(16)2)13-15-8-6-5-7-9-15/h10,12,15H,3-9,11,13H2,1-2H3,(H,18,20)
InChIKeyGAEOPLXQSHMLMG-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.91
Rot. Bonds6

About N-butyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide

N-butyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide (PubChem CID 90909354) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-butyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
PubChem CID90909354
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-butyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
SMILESCCCCNC(=O)c1ccn(CC2CCCCC2)c1C
InChIInChI=1S/C17H28N2O/c1-3-4-11-18-17(20)16-10-12-19(14(16)2)13-15-8-6-5-7-9-15/h10,12,15H,3-9,11,13H2,1-2H3,(H,18,20)
InChIKeyGAEOPLXQSHMLMG-UHFFFAOYSA-N
XLogP3.91
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-(cyclohexylmethyl)-5-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 10022081
N-butyl-1-(cyclohexylmethyl)-5-[4-(diethylamino)phenyl]-2-methylpyrrole-3-carboxamide
CID 58998936
N-butyl-1-(cyclohexylmethyl)-5-[4-(2,2-difluoroethoxy)phenyl]-2-methylpyrrole-3-carboxamide
CID 153011506
N-butyl-1-(cyclohexylmethyl)-5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide
CID 10004068
N-butyl-2-(cyclopropylmethyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 71566389
1-(cyclohexylmethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
CID 91236758
4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide
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N-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
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N-butyl-2-(2-cyclohexylethylamino)acetamide
CID 60976119
N-(3-cyclohexylpropyl)-2,5-dimethylfuran-3-carboxamide
CID 78866046
1-[[3-[3,5-bis(trifluoromethyl)phenyl]cyclohexyl]methyl]-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide
CID 10346427
5-(azepan-1-ylsulfonyl)-N-butyl-2-methylbenzamide
CID 53281850

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of N-butyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide (CID 90909354) is N-butyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for N-butyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for N-butyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide is CCCCNC(=O)c1ccn(CC2CCCCC2)c1C.
What is the InChIKey of N-butyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide?
The InChIKey is GAEOPLXQSHMLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-4-11-18-17(20)16-10-12-19(14(16)2)13-15-8-6-5-7-9-15/h10,12,15H,3-9,11,13H2,1-2H3,(H,18,20).
What are the key properties of N-butyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide?
N-butyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide has a molecular weight of 276.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 90909354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).