1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide

C16H23N3O2 — CID 119431391

IUPAC1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCNCCCNC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c1-17-8-5-9-18-16(21)14-10-15(20)19(12-14)11-13-6-3-2-4-7-13/h2-4,6-7,14,17H,5,8-12H2,1H3,(H,18,21)
InChIKeyPACOLVXTHKUACE-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.76
Rot. Bonds7

About 1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 119431391) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID119431391
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCNCCCNC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c1-17-8-5-9-18-16(21)14-10-15(20)19(12-14)11-13-6-3-2-4-7-13/h2-4,6-7,14,17H,5,8-12H2,1H3,(H,18,21)
InChIKeyPACOLVXTHKUACE-UHFFFAOYSA-N
XLogP0.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 4827205
(3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 93017903
(3S)-1-benzyl-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 36903548
1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18074627
1-benzyl-N-[2-(diethylcarbamoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108572365
1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113183699
1-benzyl-N-[2-(3-chloropropanoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108572361
1-benzyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 86929748
N-benzyl-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109695
1-benzyl-N-[2-(furan-2-carbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108539005
methyl (E)-5-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]pent-2-enoate
CID 146099845
(3R)-1-[(3-bromophenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 93017811

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide (CID 119431391) is 1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide is CNCCCNC(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PACOLVXTHKUACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-17-8-5-9-18-16(21)14-10-15(20)19(12-14)11-13-6-3-2-4-7-13/h2-4,6-7,14,17H,5,8-12H2,1H3,(H,18,21).
What are the key properties of 1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119431391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).