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

C23H29N3O2 — CID 113183127

IUPACN-benzyl-1-[3-(dimethylamino)propyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCN(C)CCCN1CC(C(=O)N(Cc2ccccc2)c2ccccc2)CC1=O
InChIInChI=1S/C23H29N3O2/c1-24(2)14-9-15-25-18-20(16-22(25)27)23(28)26(21-12-7-4-8-13-21)17-19-10-5-3-6-11-19/h3-8,10-13,20H,9,14-18H2,1-2H3
InChIKeyFDVBSGDEIHCSGQ-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.02
Rot. Bonds8

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

N-benzyl-1-[3-(dimethylamino)propyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 113183127) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-benzyl-1-[3-(dimethylamino)propyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[3-(dimethylamino)propyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID113183127
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-benzyl-1-[3-(dimethylamino)propyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCN(C)CCCN1CC(C(=O)N(Cc2ccccc2)c2ccccc2)CC1=O
InChIInChI=1S/C23H29N3O2/c1-24(2)14-9-15-25-18-20(16-22(25)27)23(28)26(21-12-7-4-8-13-21)17-19-10-5-3-6-11-19/h3-8,10-13,20H,9,14-18H2,1-2H3
InChIKeyFDVBSGDEIHCSGQ-UHFFFAOYSA-N
XLogP3.02
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dibenzyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 75981218
N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 46110151
(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 735293
N-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113182506
N-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 113185676
N-[3-(4-benzylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 514971
N-(1-benzylpiperidin-4-yl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108800210
N-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 70296770
N-[3-(dimethylamino)propyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185267
methyl 1-[4-(N-methylanilino)butyl]-5-oxopyrrolidine-3-carboxylate
CID 168693255
N-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108787376
1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 4827205

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[3-(dimethylamino)propyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-[3-(dimethylamino)propyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide (CID 113183127) is N-benzyl-1-[3-(dimethylamino)propyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-[3-(dimethylamino)propyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-[3-(dimethylamino)propyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide is CN(C)CCCN1CC(C(=O)N(Cc2ccccc2)c2ccccc2)CC1=O.
What is the InChIKey of N-benzyl-1-[3-(dimethylamino)propyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is FDVBSGDEIHCSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-24(2)14-9-15-25-18-20(16-22(25)27)23(28)26(21-12-7-4-8-13-21)17-19-10-5-3-6-11-19/h3-8,10-13,20H,9,14-18H2,1-2H3.
What are the key properties of N-benzyl-1-[3-(dimethylamino)propyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide?
N-benzyl-1-[3-(dimethylamino)propyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[3-(dimethylamino)propyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113183127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).