N-cyclohexyl-5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide

C25H28N2O2 — CID 7356100

IUPACN-cyclohexyl-5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC3CCCCC3)c(C)n2-c2ccccc2)c1
InChIInChI=1S/C25H28N2O2/c1-18-23(25(28)26-20-11-5-3-6-12-20)17-24(19-10-9-15-22(16-19)29-2)27(18)21-13-7-4-8-14-21/h4,7-10,13-17,20H,3,5-6,11-12H2,1-2H3,(H,26,28)
InChIKeyBKLLTAFYNCKWHO-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.52
Rot. Bonds5

About N-cyclohexyl-5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide

N-cyclohexyl-5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide (PubChem CID 7356100) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-cyclohexyl-5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide
PubChem CID7356100
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-cyclohexyl-5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC3CCCCC3)c(C)n2-c2ccccc2)c1
InChIInChI=1S/C25H28N2O2/c1-18-23(25(28)26-20-11-5-3-6-12-20)17-24(19-10-9-15-22(16-19)29-2)27(18)21-13-7-4-8-14-21/h4,7-10,13-17,20H,3,5-6,11-12H2,1-2H3,(H,26,28)
InChIKeyBKLLTAFYNCKWHO-UHFFFAOYSA-N
XLogP5.52
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

5-(3-methoxyphenyl)-2-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide
CID 42665947
5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7347913
N-cyclohexyl-4-[5-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazine-1-carboxamide
CID 42792081
N-cyclohexyl-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazine-1-carboxamide
CID 4256960
N-cyclohexyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050171
N-cyclohexyl-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1103616
N-cyclohexyl-1-ethyl-5-(3-methoxyphenyl)pyrazole-3-carboxamide
CID 46171136
1-(3-methoxyphenyl)-2-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrole-3-carboxamide
CID 7212347
5-(4-methoxyphenyl)-2-methyl-1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide
CID 7231138
4-[5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 42789154
N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509722
1-(4-fluorophenyl)-5-(3-methoxyphenyl)-2-methyl-N-(4-phenylbutan-2-yl)pyrrole-3-carboxamide
CID 4031989

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide (CID 7356100) is N-cyclohexyl-5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide is COc1cccc(-c2cc(C(=O)NC3CCCCC3)c(C)n2-c2ccccc2)c1.
What is the InChIKey of N-cyclohexyl-5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide?
The InChIKey is BKLLTAFYNCKWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-18-23(25(28)26-20-11-5-3-6-12-20)17-24(19-10-9-15-22(16-19)29-2)27(18)21-13-7-4-8-14-21/h4,7-10,13-17,20H,3,5-6,11-12H2,1-2H3,(H,26,28).
What are the key properties of N-cyclohexyl-5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide?
N-cyclohexyl-5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 7356100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).