(3R,4S)-N-(cyclopropylmethyl)-1-(3-methoxybenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide

C24H28N2O3 — CID 93152080

IUPAC(3R,4S)-N-(cyclopropylmethyl)-1-(3-methoxybenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(C(=O)N2C[C@H](C(=O)NCC3CC3)[C@@H](c3ccccc3C)C2)c1
InChIInChI=1S/C24H28N2O3/c1-16-6-3-4-9-20(16)21-14-26(15-22(21)23(27)25-13-17-10-11-17)24(28)18-7-5-8-19(12-18)29-2/h3-9,12,17,21-22H,10-11,13-15H2,1-2H3,(H,25,27)/t21-,22+/m1/s1
InChIKeyTYVDHKPAGBJRKV-YADHBBJMSA-N
MW392.50 g/mol
LogP3.39
Rot. Bonds6

About (3R,4S)-N-(cyclopropylmethyl)-1-(3-methoxybenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide

(3R,4S)-N-(cyclopropylmethyl)-1-(3-methoxybenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide (PubChem CID 93152080) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is (3R,4S)-N-(cyclopropylmethyl)-1-(3-methoxybenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-(cyclopropylmethyl)-1-(3-methoxybenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
PubChem CID93152080
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name(3R,4S)-N-(cyclopropylmethyl)-1-(3-methoxybenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(C(=O)N2C[C@H](C(=O)NCC3CC3)[C@@H](c3ccccc3C)C2)c1
InChIInChI=1S/C24H28N2O3/c1-16-6-3-4-9-20(16)21-14-26(15-22(21)23(27)25-13-17-10-11-17)24(28)18-7-5-8-19(12-18)29-2/h3-9,12,17,21-22H,10-11,13-15H2,1-2H3,(H,25,27)/t21-,22+/m1/s1
InChIKeyTYVDHKPAGBJRKV-YADHBBJMSA-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

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Related Compounds

(3S,4R)-N-(cyclopropylmethyl)-4-(2,3-dimethoxyphenyl)-1-(3-methoxybenzoyl)pyrrolidine-3-carboxamide
CID 93152392
(3S,4R)-1-(4-chlorobenzoyl)-N-(cyclopropylmethyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 93152077
(3S,4R)-N-(cyclopropylmethyl)-4-(3-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93154365
N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42828357
N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide
CID 42681947
1-(3-methoxybenzoyl)-4-(2-methoxyphenyl)-N-propylpyrrolidine-3-carboxamide
CID 42681036
(3S,4S)-1-benzoyl-N-(cyclopropylmethyl)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93152374
1-benzoyl-N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42825879
N-benzyl-4-(2,5-dimethoxyphenyl)-1-(3-methoxybenzoyl)pyrrolidine-3-carboxamide
CID 42680755
N-(cyclopropylmethyl)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42681040
(3S,4S)-N-(cyclopropylmethyl)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93151900
(3R,4S)-4-(2,4-dimethoxyphenyl)-1-(3-methoxybenzoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 93154059

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-(cyclopropylmethyl)-1-(3-methoxybenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-(cyclopropylmethyl)-1-(3-methoxybenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide (CID 93152080) is (3R,4S)-N-(cyclopropylmethyl)-1-(3-methoxybenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-(cyclopropylmethyl)-1-(3-methoxybenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-(cyclopropylmethyl)-1-(3-methoxybenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide is COc1cccc(C(=O)N2C[C@H](C(=O)NCC3CC3)[C@@H](c3ccccc3C)C2)c1.
What is the InChIKey of (3R,4S)-N-(cyclopropylmethyl)-1-(3-methoxybenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is TYVDHKPAGBJRKV-YADHBBJMSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-16-6-3-4-9-20(16)21-14-26(15-22(21)23(27)25-13-17-10-11-17)24(28)18-7-5-8-19(12-18)29-2/h3-9,12,17,21-22H,10-11,13-15H2,1-2H3,(H,25,27)/t21-,22+/m1/s1.
What are the key properties of (3R,4S)-N-(cyclopropylmethyl)-1-(3-methoxybenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide?
(3R,4S)-N-(cyclopropylmethyl)-1-(3-methoxybenzoyl)-4-(2-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 (3R,4S)-N-(cyclopropylmethyl)-1-(3-methoxybenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 93152080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).