N-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C17H24N2O3 — CID 113182506

IUPACN-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCN1CC(C(=O)N(C)Cc2ccccc2)CC1=O
InChIInChI=1S/C17H24N2O3/c1-18(12-14-7-4-3-5-8-14)17(21)15-11-16(20)19(13-15)9-6-10-22-2/h3-5,7-8,15H,6,9-13H2,1-2H3
InChIKeyPGQDLOGRSDTAEO-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.53
Rot. Bonds7

About N-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

N-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 113182506) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID113182506
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCN1CC(C(=O)N(C)Cc2ccccc2)CC1=O
InChIInChI=1S/C17H24N2O3/c1-18(12-14-7-4-3-5-8-14)17(21)15-11-16(20)19(13-15)9-6-10-22-2/h3-5,7-8,15H,6,9-13H2,1-2H3
InChIKeyPGQDLOGRSDTAEO-UHFFFAOYSA-N
XLogP1.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
(3R)-N-benzyl-1-[(2R)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 9365076
N-benzyl-1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113185793
N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46109759
(3R)-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 92607441
N-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 113185676
1-(2-methoxyethyl)-N-methyl-5-oxo-N-(3-phenylcyclobutyl)pyrrolidine-3-carboxamide
CID 166281801
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
1-(3-methoxypropyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 113182555
N-methyl-5-oxo-1-(3-phenylpropyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 113185294
3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 60989328

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 113182506) is N-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is COCCCN1CC(C(=O)N(C)Cc2ccccc2)CC1=O.
What is the InChIKey of N-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PGQDLOGRSDTAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-18(12-14-7-4-3-5-8-14)17(21)15-11-16(20)19(13-15)9-6-10-22-2/h3-5,7-8,15H,6,9-13H2,1-2H3.
What are the key properties of N-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113182506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).