4-(4-methylphenyl)-N-propylpyrrolidine-3-carboxamide

C15H22N2O — CID 42680028

IUPAC4-(4-methylphenyl)-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CNCC1c1ccc(C)cc1
InChIInChI=1S/C15H22N2O/c1-3-8-17-15(18)14-10-16-9-13(14)12-6-4-11(2)5-7-12/h4-7,13-14,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyHTWFXJZCSHLIRI-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.82
Rot. Bonds4

About 4-(4-methylphenyl)-N-propylpyrrolidine-3-carboxamide

4-(4-methylphenyl)-N-propylpyrrolidine-3-carboxamide (PubChem CID 42680028) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-propylpyrrolidine-3-carboxamide
PubChem CID42680028
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-(4-methylphenyl)-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CNCC1c1ccc(C)cc1
InChIInChI=1S/C15H22N2O/c1-3-8-17-15(18)14-10-16-9-13(14)12-6-4-11(2)5-7-12/h4-7,13-14,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyHTWFXJZCSHLIRI-UHFFFAOYSA-N
XLogP1.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 7145905
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide
CID 120917720
[4-(4-methylphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 42656377
4-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 63714328
(2R)-N-propyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 130471039
(3R,4S)-3-(4-methylphenyl)-4-propylpyrrolidine
CID 124562401
(3R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid
CID 46839530
(3S,4R)-N-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 138004449
ethyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate
CID 129462996
methyl (3R,4R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylate
CID 129369498
N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42825230
1-N-ethyl-3-N-(3-methylbutyl)-4-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide
CID 42826351

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of 4-(4-methylphenyl)-N-propylpyrrolidine-3-carboxamide (CID 42680028) is 4-(4-methylphenyl)-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for 4-(4-methylphenyl)-N-propylpyrrolidine-3-carboxamide is CCCNC(=O)C1CNCC1c1ccc(C)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-propylpyrrolidine-3-carboxamide?
The InChIKey is HTWFXJZCSHLIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-8-17-15(18)14-10-16-9-13(14)12-6-4-11(2)5-7-12/h4-7,13-14,16H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of 4-(4-methylphenyl)-N-propylpyrrolidine-3-carboxamide?
4-(4-methylphenyl)-N-propylpyrrolidine-3-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42680028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).