N-cyclohexyl-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide

C20H26N2O — CID 2110634

IUPACN-cyclohexyl-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
SMILESCc1cccc(-n2c(C)cc(C(=O)NC3CCCCC3)c2C)c1
InChIInChI=1S/C20H26N2O/c1-14-8-7-11-18(12-14)22-15(2)13-19(16(22)3)20(23)21-17-9-5-4-6-10-17/h7-8,11-13,17H,4-6,9-10H2,1-3H3,(H,21,23)
InChIKeyQTBUIKPMAKDYDG-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.47
Rot. Bonds3

About N-cyclohexyl-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide

N-cyclohexyl-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide (PubChem CID 2110634) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-cyclohexyl-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
PubChem CID2110634
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-cyclohexyl-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
SMILESCc1cccc(-n2c(C)cc(C(=O)NC3CCCCC3)c2C)c1
InChIInChI=1S/C20H26N2O/c1-14-8-7-11-18(12-14)22-15(2)13-19(16(22)3)20(23)21-17-9-5-4-6-10-17/h7-8,11-13,17H,4-6,9-10H2,1-3H3,(H,21,23)
InChIKeyQTBUIKPMAKDYDG-UHFFFAOYSA-N
XLogP4.47
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

Olinone
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HC067047
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1-(2-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 7802604
Cym-5520
CID 25110470
3-(2,5-dimethylpyrrol-1-yl)-N-phenylbenzamide
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2-methyl-N-(4-methylphenyl)-1-(3-morpholinopropyl)-5-phenyl-1H-pyrrole-3-carboxamide
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2-methyl-1-(3-morpholinopropyl)-N,5-diphenyl-1H-pyrrole-3-carboxamide
CID 2742727
N-(2-acetamidoethyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 2468420
[5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrol-3-yl](morpholino)methanone
CID 2742315
3-(dimethylamino)-N-(3-indol-1-ylpropyl)benzamide
CID 9118951
4-(2,5-dimethyl-1H-pyrrol-1-yl)-N-(2-ethylphenyl)benzamide
CID 748196
1-[2-[2,5-Dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 2113511

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide?
The IUPAC name of N-cyclohexyl-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide (CID 2110634) is N-cyclohexyl-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide is Cc1cccc(-n2c(C)cc(C(=O)NC3CCCCC3)c2C)c1.
What is the InChIKey of N-cyclohexyl-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide?
The InChIKey is QTBUIKPMAKDYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-14-8-7-11-18(12-14)22-15(2)13-19(16(22)3)20(23)21-17-9-5-4-6-10-17/h7-8,11-13,17H,4-6,9-10H2,1-3H3,(H,21,23).
What are the key properties of N-cyclohexyl-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide?
N-cyclohexyl-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 2110634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).