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

C17H25N3O2 — CID 4827205

IUPAC1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCCNC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C17H25N3O2/c1-19(2)10-6-9-18-17(22)15-11-16(21)20(13-15)12-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3,(H,18,22)
InChIKeyZCRUPIPPBSQXNS-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.10
Rot. Bonds7

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

1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 4827205) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID4827205
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCCNC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C17H25N3O2/c1-19(2)10-6-9-18-17(22)15-11-16(21)20(13-15)12-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3,(H,18,22)
InChIKeyZCRUPIPPBSQXNS-UHFFFAOYSA-N
XLogP1.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.10
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

N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78781061
N-[3-(dimethylamino)propyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185267
1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 119431391
1-benzyl-N-[2-(diethylcarbamoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108572365
(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
(3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 9397964
(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide
CID 9465398
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-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-ethyl-1-methylurea
CID 75398712
1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18074627

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide (CID 4827205) is 1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide is CN(C)CCCNC(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZCRUPIPPBSQXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19(2)10-6-9-18-17(22)15-11-16(21)20(13-15)12-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3,(H,18,22).
What are the key properties of 1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4827205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).