(3S,4S)-1-(4-methylbenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide

C23H28N2O2 — CID 93152035

IUPAC(3S,4S)-1-(4-methylbenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@@H]1c1ccccc1C
InChIInChI=1S/C23H28N2O2/c1-4-13-24-22(26)21-15-25(23(27)18-11-9-16(2)10-12-18)14-20(21)19-8-6-5-7-17(19)3/h5-12,20-21H,4,13-15H2,1-3H3,(H,24,26)/t20-,21-/m1/s1
InChIKeyOMWPXCVYMVSUJK-NHCUHLMSSA-N
MW364.49 g/mol
LogP3.69
Rot. Bonds5

About (3S,4S)-1-(4-methylbenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide

(3S,4S)-1-(4-methylbenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide (PubChem CID 93152035) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (3S,4S)-1-(4-methylbenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-(4-methylbenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide
PubChem CID93152035
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(3S,4S)-1-(4-methylbenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@@H]1c1ccccc1C
InChIInChI=1S/C23H28N2O2/c1-4-13-24-22(26)21-15-25(23(27)18-11-9-16(2)10-12-18)14-20(21)19-8-6-5-7-17(19)3/h5-12,20-21H,4,13-15H2,1-3H3,(H,24,26)/t20-,21-/m1/s1
InChIKeyOMWPXCVYMVSUJK-NHCUHLMSSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-1-(2-chlorobenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide
CID 93152032
(3S,4R)-1-(4-chlorobenzoyl)-N-(cyclopropylmethyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 93152077
(3S,4S)-1-(4-chlorobenzoyl)-4-phenyl-N-propylpyrrolidine-3-carboxamide
CID 93148484
(3S,4S)-N-(2-methoxyethyl)-1-(2-methylbenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 93152688
(3S,4R)-N-(2-methoxyethyl)-1-(2-methylbenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 93152687
(3S,4R)-N-butyl-4-(4-fluorophenyl)-1-(4-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93151567
(3S,4R)-N-benzyl-4-(2-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93151797
1-(4-methylbenzoyl)-N-(3-methylbutyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 42826243
(3R,4S)-N-butyl-4-(2,5-dimethoxyphenyl)-1-(4-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93150796
1-(3-methoxybenzoyl)-4-(2-methoxyphenyl)-N-propylpyrrolidine-3-carboxamide
CID 42681036
4-(2,5-dimethoxyphenyl)-1-(2-methylbenzoyl)-N-propylpyrrolidine-3-carboxamide
CID 42680798
(3R,4S)-N-(cyclopropylmethyl)-1-(3-methoxybenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 93152080

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(4-methylbenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-(4-methylbenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide (CID 93152035) is (3S,4S)-1-(4-methylbenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-(4-methylbenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-(4-methylbenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide is CCCNC(=O)[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@@H]1c1ccccc1C.
What is the InChIKey of (3S,4S)-1-(4-methylbenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide?
The InChIKey is OMWPXCVYMVSUJK-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-4-13-24-22(26)21-15-25(23(27)18-11-9-16(2)10-12-18)14-20(21)19-8-6-5-7-17(19)3/h5-12,20-21H,4,13-15H2,1-3H3,(H,24,26)/t20-,21-/m1/s1.
What are the key properties of (3S,4S)-1-(4-methylbenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide?
(3S,4S)-1-(4-methylbenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(4-methylbenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 93152035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).