1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C16H22N2O2 — CID 47160631

IUPAC1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCc1ccc(N2CC(C(=O)NC)CC2=O)cc1
InChIInChI=1S/C16H22N2O2/c1-3-4-5-12-6-8-14(9-7-12)18-11-13(10-15(18)19)16(20)17-2/h6-9,13H,3-5,10-11H2,1-2H3,(H,17,20)
InChIKeyDINFZNGNZFSJLR-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.13
Rot. Bonds5

About 1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 47160631) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID47160631
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCc1ccc(N2CC(C(=O)NC)CC2=O)cc1
InChIInChI=1S/C16H22N2O2/c1-3-4-5-12-6-8-14(9-7-12)18-11-13(10-15(18)19)16(20)17-2/h6-9,13H,3-5,10-11H2,1-2H3,(H,17,20)
InChIKeyDINFZNGNZFSJLR-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butylphenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide
CID 46581289
N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3107620
1-(4-butylphenyl)-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 23905377
1-(4-butylphenyl)-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 42952897
1-(4-butylphenyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 46585953
(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 686846
1-(1,3-benzodioxol-5-yl)-N-(4-butylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108791224
1-(4-butylphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide
CID 119536152
(2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119370329
1-(4-butylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55578705
N-(1-amino-2-methylpropan-2-yl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 119523528
N-(2-amino-2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119628581

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 47160631) is 1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is CCCCc1ccc(N2CC(C(=O)NC)CC2=O)cc1.
What is the InChIKey of 1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DINFZNGNZFSJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-4-5-12-6-8-14(9-7-12)18-11-13(10-15(18)19)16(20)17-2/h6-9,13H,3-5,10-11H2,1-2H3,(H,17,20).
What are the key properties of 1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 47160631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).