N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide

C18H26N2O2 — CID 46110151

IUPACN-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
SMILESCCCCCN1CC(C(=O)N(C)Cc2ccccc2)CC1=O
InChIInChI=1S/C18H26N2O2/c1-3-4-8-11-20-14-16(12-17(20)21)18(22)19(2)13-15-9-6-5-7-10-15/h5-7,9-10,16H,3-4,8,11-14H2,1-2H3
InChIKeyDKEQZJLTXYJCKN-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.68
Rot. Bonds7

About N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide

N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide (PubChem CID 46110151) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
PubChem CID46110151
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
SMILESCCCCCN1CC(C(=O)N(C)Cc2ccccc2)CC1=O
InChIInChI=1S/C18H26N2O2/c1-3-4-8-11-20-14-16(12-17(20)21)18(22)19(2)13-15-9-6-5-7-10-15/h5-7,9-10,16H,3-4,8,11-14H2,1-2H3
InChIKeyDKEQZJLTXYJCKN-UHFFFAOYSA-N
XLogP2.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-benzyl-1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113185793
N-benzyl-1-[3-(dimethylamino)propyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113183127
(3S)-N-[(2-chlorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 30247534
N-methyl-5-oxo-1-(3-phenylpropyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 113185294
N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46109759
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51190222
4-[[methyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoic acid
CID 60754710
1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 78770918
(3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 34904790
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide (CID 46110151) is N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide is CCCCCN1CC(C(=O)N(C)Cc2ccccc2)CC1=O.
What is the InChIKey of N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide?
The InChIKey is DKEQZJLTXYJCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-4-8-11-20-14-16(12-17(20)21)18(22)19(2)13-15-9-6-5-7-10-15/h5-7,9-10,16H,3-4,8,11-14H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide?
N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide is sourced from PubChem (CID 46110151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).