N-[4-(N-methylanilino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C27H29N3O2 — CID 10194740

IUPACN-[4-(N-methylanilino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccccc1N1CC(C(=O)Nc2ccc(N(C)c3ccccc3)cc2)CC1=O
InChIInChI=1S/C27H29N3O2/c1-19(2)24-11-7-8-12-25(24)30-18-20(17-26(30)31)27(32)28-21-13-15-23(16-14-21)29(3)22-9-5-4-6-10-22/h4-16,19-20H,17-18H2,1-3H3,(H,28,32)
InChIKeyQWRHEVZABGJAHU-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.57
Rot. Bonds6

About N-[4-(N-methylanilino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-[4-(N-methylanilino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 10194740) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[4-(N-methylanilino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(N-methylanilino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID10194740
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-[4-(N-methylanilino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccccc1N1CC(C(=O)Nc2ccc(N(C)c3ccccc3)cc2)CC1=O
InChIInChI=1S/C27H29N3O2/c1-19(2)24-11-7-8-12-25(24)30-18-20(17-26(30)31)27(32)28-21-13-15-23(16-14-21)29(3)22-9-5-4-6-10-22/h4-16,19-20H,17-18H2,1-3H3,(H,28,32)
InChIKeyQWRHEVZABGJAHU-UHFFFAOYSA-N
XLogP5.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(N-methylanilino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(diethylamino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186644
N-[4-[N-[(cyclopropylamino)methyl]anilino]phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 150539654
5-oxo-1-(2-propan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113186635
N-[4-(dimethylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3109767
methyl 2-[[5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 113186640
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7947509
N-(3-chloro-2-methylphenyl)-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186614
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
1-(2,3-dimethylphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42997194
N-[4-[(4,6-dimethylpyrimidin-2-yl)-methylamino]phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 174479122
N-(4-methylphenyl)-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188305
5-oxo-1-(2-propan-2-yloxyphenyl)-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188343

Frequently Asked Questions

What is the IUPAC name of N-[4-(N-methylanilino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(N-methylanilino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 10194740) is N-[4-(N-methylanilino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(N-methylanilino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(N-methylanilino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)c1ccccc1N1CC(C(=O)Nc2ccc(N(C)c3ccccc3)cc2)CC1=O.
What is the InChIKey of N-[4-(N-methylanilino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is QWRHEVZABGJAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-19(2)24-11-7-8-12-25(24)30-18-20(17-26(30)31)27(32)28-21-13-15-23(16-14-21)29(3)22-9-5-4-6-10-22/h4-16,19-20H,17-18H2,1-3H3,(H,28,32).
What are the key properties of N-[4-(N-methylanilino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-[4-(N-methylanilino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N-methylanilino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 10194740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).