N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-propyloxamide

C16H21N3O3 — CID 30679260

IUPACN'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(C)c1
InChIInChI=1S/C16H21N3O3/c1-3-8-17-15(21)16(22)18-12-6-7-13(11(2)10-12)19-9-4-5-14(19)20/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyQQBHBDREFHAGLW-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.59
Rot. Bonds4

About N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-propyloxamide

N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-propyloxamide (PubChem CID 30679260) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-propyloxamide.

Molecular Properties

Compound NameN'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-propyloxamide
PubChem CID30679260
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(C)c1
InChIInChI=1S/C16H21N3O3/c1-3-8-17-15(21)16(22)18-12-6-7-13(11(2)10-12)19-9-4-5-14(19)20/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyQQBHBDREFHAGLW-UHFFFAOYSA-N
XLogP1.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584397
N'-(3,5-dimethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679282
1-[2-methyl-4-(propylamino)phenyl]pyrrolidin-2-one
CID 63090031
N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
CID 121054590
N-[(4-methoxyphenyl)methyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584394
N-(furan-2-ylmethyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584405
N-(3-fluorophenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679287
N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(pyridin-2-ylmethyl)oxamide
CID 18584398
N-(3,4-dimethylphenyl)-N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679388
N-cyclohexyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679262
N-cycloheptyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584403
N-(3-methoxyphenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679288

Frequently Asked Questions

What is the IUPAC name of N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-propyloxamide?
The IUPAC name of N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-propyloxamide (CID 30679260) is N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-propyloxamide.
What is the SMILES notation for N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-propyloxamide?
The canonical SMILES for N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-propyloxamide is CCCNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(C)c1.
What is the InChIKey of N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-propyloxamide?
The InChIKey is QQBHBDREFHAGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-8-17-15(21)16(22)18-12-6-7-13(11(2)10-12)19-9-4-5-14(19)20/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-propyloxamide?
N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-propyloxamide has a molecular weight of 303.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-propyloxamide is sourced from PubChem (CID 30679260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).