N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide

C24H28N2O3 — CID 42680496

IUPACN-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CC(C(=O)NCC3CC3)C(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C24H28N2O3/c1-16-3-7-18(8-4-16)21-14-26(15-22(21)23(27)25-13-17-5-6-17)24(28)19-9-11-20(29-2)12-10-19/h3-4,7-12,17,21-22H,5-6,13-15H2,1-2H3,(H,25,27)
InChIKeyBPFCCMOPODURQE-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.39
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide

N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide (PubChem CID 42680496) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide
PubChem CID42680496
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CC(C(=O)NCC3CC3)C(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C24H28N2O3/c1-16-3-7-18(8-4-16)21-14-26(15-22(21)23(27)25-13-17-5-6-17)24(28)19-9-11-20(29-2)12-10-19/h3-4,7-12,17,21-22H,5-6,13-15H2,1-2H3,(H,25,27)
InChIKeyBPFCCMOPODURQE-UHFFFAOYSA-N
XLogP3.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(4-methylphenyl)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

1-benzoyl-N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42825879
(3S,4R)-N-(cyclopropylmethyl)-4-(3-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93154365
N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide
CID 42681947
N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42828357
N-(cyclopropylmethyl)-1-(2-fluorobenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680256
1-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrrolidine-3-carboxamide
CID 42680230
1-benzoyl-N-(cyclopropylmethyl)-4-phenylpyrrolidine-3-carboxamide
CID 42680162
[(3R,4R)-4-(4-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 93148899
(3S,4R)-1-benzoyl-4-(4-methoxyphenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 93148646
1-(4-methylbenzoyl)-N-(3-methylbutyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 42826243
N-cyclopropyl-4-(4-fluorophenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide
CID 42827099
(3S,4S)-1-benzoyl-N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93148791

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide (CID 42680496) is N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide is COc1ccc(C(=O)N2CC(C(=O)NCC3CC3)C(c3ccc(C)cc3)C2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is BPFCCMOPODURQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-16-3-7-18(8-4-16)21-14-26(15-22(21)23(27)25-13-17-5-6-17)24(28)19-9-11-20(29-2)12-10-19/h3-4,7-12,17,21-22H,5-6,13-15H2,1-2H3,(H,25,27).
What are the key properties of N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide?
N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42680496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).