(2R)-N-(3,4-dimethylphenyl)-1-(4-ethylbenzoyl)pyrrolidine-2-carboxamide

C22H26N2O2 — CID 52904723

IUPAC(2R)-N-(3,4-dimethylphenyl)-1-(4-ethylbenzoyl)pyrrolidine-2-carboxamide
SMILESCCc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H26N2O2/c1-4-17-8-10-18(11-9-17)22(26)24-13-5-6-20(24)21(25)23-19-12-7-15(2)16(3)14-19/h7-12,14,20H,4-6,13H2,1-3H3,(H,23,25)/t20-/m1/s1
InChIKeyLQCBUKNQAZJIHL-HXUWFJFHSA-N
MW350.46 g/mol
LogP4.11
Rot. Bonds4

About (2R)-N-(3,4-dimethylphenyl)-1-(4-ethylbenzoyl)pyrrolidine-2-carboxamide

(2R)-N-(3,4-dimethylphenyl)-1-(4-ethylbenzoyl)pyrrolidine-2-carboxamide (PubChem CID 52904723) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (2R)-N-(3,4-dimethylphenyl)-1-(4-ethylbenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3,4-dimethylphenyl)-1-(4-ethylbenzoyl)pyrrolidine-2-carboxamide
PubChem CID52904723
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(2R)-N-(3,4-dimethylphenyl)-1-(4-ethylbenzoyl)pyrrolidine-2-carboxamide
SMILESCCc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H26N2O2/c1-4-17-8-10-18(11-9-17)22(26)24-13-5-6-20(24)21(25)23-19-12-7-15(2)16(3)14-19/h7-12,14,20H,4-6,13H2,1-3H3,(H,23,25)/t20-/m1/s1
InChIKeyLQCBUKNQAZJIHL-HXUWFJFHSA-N
XLogP4.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-(3,4-dimethylphenyl)-1-(4-ethylbenzoyl)pyrrolidine-2-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

(2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 92668243
(2S)-N-(3,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 1203465
(2R)-2-N-(3,4-dimethylphenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 51684738
1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 46756185
1-(3,4-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 113006649
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46745579
(2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 92664894
(2R)-1-N-(3-chlorophenyl)-2-N-(4-ethylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1445734
N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454
1-(4-ethylbenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77035991
1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119293629

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-dimethylphenyl)-1-(4-ethylbenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(3,4-dimethylphenyl)-1-(4-ethylbenzoyl)pyrrolidine-2-carboxamide (CID 52904723) is (2R)-N-(3,4-dimethylphenyl)-1-(4-ethylbenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3,4-dimethylphenyl)-1-(4-ethylbenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3,4-dimethylphenyl)-1-(4-ethylbenzoyl)pyrrolidine-2-carboxamide is CCc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of (2R)-N-(3,4-dimethylphenyl)-1-(4-ethylbenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is LQCBUKNQAZJIHL-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-4-17-8-10-18(11-9-17)22(26)24-13-5-6-20(24)21(25)23-19-12-7-15(2)16(3)14-19/h7-12,14,20H,4-6,13H2,1-3H3,(H,23,25)/t20-/m1/s1.
What are the key properties of (2R)-N-(3,4-dimethylphenyl)-1-(4-ethylbenzoyl)pyrrolidine-2-carboxamide?
(2R)-N-(3,4-dimethylphenyl)-1-(4-ethylbenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-dimethylphenyl)-1-(4-ethylbenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 52904723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).