4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

C16H23N3O2 — CID 63713940

IUPAC4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCCNC(=O)c1cccc(NC(=O)C2CNCC2C)c1
InChIInChI=1S/C16H23N3O2/c1-3-7-18-15(20)12-5-4-6-13(8-12)19-16(21)14-10-17-9-11(14)2/h4-6,8,11,14,17H,3,7,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYXOOAOJPBKHNRS-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.62
Rot. Bonds5

About 4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 63713940) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID63713940
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCCNC(=O)c1cccc(NC(=O)C2CNCC2C)c1
InChIInChI=1S/C16H23N3O2/c1-3-7-18-15(20)12-5-4-6-13(8-12)19-16(21)14-10-17-9-11(14)2/h4-6,8,11,14,17H,3,7,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYXOOAOJPBKHNRS-UHFFFAOYSA-N
XLogP1.62
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119283131
4-hydroxy-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119712065
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536660
N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 119432738
N-[2-(4-fluorophenyl)ethyl]-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 38705932
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120948616
(2S)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119712064
(2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119712042
3-[(3,5-dimethylcyclohexyl)amino]-N-propylbenzamide
CID 64752912
3-[(2-methylcyclohexyl)carbamoylamino]-N-propylbenzamide
CID 47034013
3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide
CID 60848408
(E)-3-[3-[(4-methylpyrrolidine-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115339670

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (CID 63713940) is 4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is CCCNC(=O)c1cccc(NC(=O)C2CNCC2C)c1.
What is the InChIKey of 4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is YXOOAOJPBKHNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-7-18-15(20)12-5-4-6-13(8-12)19-16(21)14-10-17-9-11(14)2/h4-6,8,11,14,17H,3,7,9-10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63713940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).