N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C18H27N3O2 — CID 78781061

IUPACN-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(=O)NCCCN(C)C)CC2=O)cc1
InChIInChI=1S/C18H27N3O2/c1-14-5-7-15(8-6-14)12-21-13-16(11-17(21)22)18(23)19-9-4-10-20(2)3/h5-8,16H,4,9-13H2,1-3H3,(H,19,23)
InChIKeyNMOYUNPVOIRLRG-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.41
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 78781061) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID78781061
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(=O)NCCCN(C)C)CC2=O)cc1
InChIInChI=1S/C18H27N3O2/c1-14-5-7-15(8-6-14)12-21-13-16(11-17(21)22)18(23)19-9-4-10-20(2)3/h5-8,16H,4,9-13H2,1-3H3,(H,19,23)
InChIKeyNMOYUNPVOIRLRG-UHFFFAOYSA-N
XLogP1.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 4827205
N-[3-(dimethylamino)propyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185267
(3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 9397964
N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 86907349
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 29261393
1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 119431391
N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108787285
1-[(4-methylphenyl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119535395
1-[(4-methylphenyl)methyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55899972
N-[2-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 39023396
1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4963914
5-[[[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 124697193

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 78781061) is N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(CN2CC(C(=O)NCCCN(C)C)CC2=O)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NMOYUNPVOIRLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-5-7-15(8-6-14)12-21-13-16(11-17(21)22)18(23)19-9-4-10-20(2)3/h5-8,16H,4,9-13H2,1-3H3,(H,19,23).
What are the key properties of N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78781061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).