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

C24H28N2O2 — CID 7230876

IUPAC1-(2-methoxyphenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide
SMILESCOc1ccccc1-n1c(-c2ccccc2)cc(C(=O)NCCC(C)C)c1C
InChIInChI=1S/C24H28N2O2/c1-17(2)14-15-25-24(27)20-16-22(19-10-6-5-7-11-19)26(18(20)3)21-12-8-9-13-23(21)28-4/h5-13,16-17H,14-15H2,1-4H3,(H,25,27)
InChIKeyQFTCVRCLVNDGMK-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.24
Rot. Bonds7

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

1-(2-methoxyphenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide (PubChem CID 7230876) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide
PubChem CID7230876
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name1-(2-methoxyphenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide
SMILESCOc1ccccc1-n1c(-c2ccccc2)cc(C(=O)NCCC(C)C)c1C
InChIInChI=1S/C24H28N2O2/c1-17(2)14-15-25-24(27)20-16-22(19-10-6-5-7-11-19)26(18(20)3)21-12-8-9-13-23(21)28-4/h5-13,16-17H,14-15H2,1-4H3,(H,25,27)
InChIKeyQFTCVRCLVNDGMK-UHFFFAOYSA-N
XLogP5.24
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.24
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

N-(3,3-diphenylpropyl)-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 4579764
1-(2-chlorophenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide
CID 7288841
N-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42665713
1-(2-methoxyphenyl)-2-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 42665715
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
CID 46126596
N-[(2R)-butan-2-yl]-5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 7295044
N-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 7230351
5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 7230397
N-(3,4-dimethylphenyl)-1-(2-ethoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 46126484
N-butyl-1-(2-chlorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 7213171
1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42785432
1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide
CID 7212800

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide (CID 7230876) is 1-(2-methoxyphenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide is COc1ccccc1-n1c(-c2ccccc2)cc(C(=O)NCCC(C)C)c1C.
What is the InChIKey of 1-(2-methoxyphenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide?
The InChIKey is QFTCVRCLVNDGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-17(2)14-15-25-24(27)20-16-22(19-10-6-5-7-11-19)26(18(20)3)21-12-8-9-13-23(21)28-4/h5-13,16-17H,14-15H2,1-4H3,(H,25,27).
What are the key properties of 1-(2-methoxyphenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide?
1-(2-methoxyphenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 7230876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).