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

C19H28N2O2 — CID 113185676

IUPACN-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
SMILESCCCCCN1CC(C(=O)N(CC)Cc2ccccc2)CC1=O
InChIInChI=1S/C19H28N2O2/c1-3-5-9-12-21-15-17(13-18(21)22)19(23)20(4-2)14-16-10-7-6-8-11-16/h6-8,10-11,17H,3-5,9,12-15H2,1-2H3
InChIKeyWJJNQGQOXNUPBG-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.07
Rot. Bonds8

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

N-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide (PubChem CID 113185676) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
PubChem CID113185676
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
SMILESCCCCCN1CC(C(=O)N(CC)Cc2ccccc2)CC1=O
InChIInChI=1S/C19H28N2O2/c1-3-5-9-12-21-15-17(13-18(21)22)19(23)20(4-2)14-16-10-7-6-8-11-16/h6-8,10-11,17H,3-5,9,12-15H2,1-2H3
InChIKeyWJJNQGQOXNUPBG-UHFFFAOYSA-N
XLogP3.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.07
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-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 46110151
N-benzyl-N-ethyl-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183425
(3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 93017351
N-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113182506
5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185311
N-benzyl-1-[3-(dimethylamino)propyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113183127
1-(4-acetylphenyl)-N-benzyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 113188899
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
ethyl 2-[benzyl-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 95179575
ethyl 2-[benzyl-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 95179574
(3S)-1-butyl-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9398194

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide (CID 113185676) is N-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide is CCCCCN1CC(C(=O)N(CC)Cc2ccccc2)CC1=O.
What is the InChIKey of N-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide?
The InChIKey is WJJNQGQOXNUPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-5-9-12-21-15-17(13-18(21)22)19(23)20(4-2)14-16-10-7-6-8-11-16/h6-8,10-11,17H,3-5,9,12-15H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide?
N-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113185676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).