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

C34H32N2O2 — CID 4579764

IUPACN-(3,3-diphenylpropyl)-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
SMILESCOc1ccccc1-n1c(-c2ccccc2)cc(C(=O)NCCC(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C34H32N2O2/c1-25-30(24-32(28-18-10-5-11-19-28)36(25)31-20-12-13-21-33(31)38-2)34(37)35-23-22-29(26-14-6-3-7-15-26)27-16-8-4-9-17-27/h3-21,24,29H,22-23H2,1-2H3,(H,35,37)
InChIKeyNQQAVMAZZFGJHB-UHFFFAOYSA-N
MW500.64 g/mol
LogP7.41
Rot. Bonds9

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

N-(3,3-diphenylpropyl)-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide (PubChem CID 4579764) has the molecular formula C34H32N2O2 and a molecular weight of 500.64 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
PubChem CID4579764
Molecular FormulaC34H32N2O2
Molecular Weight500.64 g/mol
Exact Mass500.25
IUPAC NameN-(3,3-diphenylpropyl)-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
SMILESCOc1ccccc1-n1c(-c2ccccc2)cc(C(=O)NCCC(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C34H32N2O2/c1-25-30(24-32(28-18-10-5-11-19-28)36(25)31-20-12-13-21-33(31)38-2)34(37)35-23-22-29(26-14-6-3-7-15-26)27-16-8-4-9-17-27/h3-21,24,29H,22-23H2,1-2H3,(H,35,37)
InChIKeyNQQAVMAZZFGJHB-UHFFFAOYSA-N
XLogP7.41
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.64
LogP ≤ 57.41
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

1-(2-methoxyphenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide
CID 7230876
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
1-(2-chlorophenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide
CID 7288841
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-(3,3-diphenylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 2399652
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

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide (CID 4579764) is N-(3,3-diphenylpropyl)-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide is COc1ccccc1-n1c(-c2ccccc2)cc(C(=O)NCCC(c2ccccc2)c2ccccc2)c1C.
What is the InChIKey of N-(3,3-diphenylpropyl)-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
The InChIKey is NQQAVMAZZFGJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O2/c1-25-30(24-32(28-18-10-5-11-19-28)36(25)31-20-12-13-21-33(31)38-2)34(37)35-23-22-29(26-14-6-3-7-15-26)27-16-8-4-9-17-27/h3-21,24,29H,22-23H2,1-2H3,(H,35,37).
What are the key properties of N-(3,3-diphenylpropyl)-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
N-(3,3-diphenylpropyl)-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide has a molecular weight of 500.64 g/mol, XLogP of 7.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 4579764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).