1-[3-(dimethylamino)propyl]-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

C16H22N4O4 — CID 108787329

IUPAC1-[3-(dimethylamino)propyl]-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCCN1CC(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O
InChIInChI=1S/C16H22N4O4/c1-18(2)8-3-9-19-11-12(10-15(19)21)16(22)17-13-4-6-14(7-5-13)20(23)24/h4-7,12H,3,8-11H2,1-2H3,(H,17,22)
InChIKeyDAXRIIUMUXKXFG-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.33
Rot. Bonds7

About 1-[3-(dimethylamino)propyl]-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

1-[3-(dimethylamino)propyl]-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 108787329) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID108787329
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name1-[3-(dimethylamino)propyl]-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCCN1CC(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O
InChIInChI=1S/C16H22N4O4/c1-18(2)8-3-9-19-11-12(10-15(19)21)16(22)17-13-4-6-14(7-5-13)20(23)24/h4-7,12H,3,8-11H2,1-2H3,(H,17,22)
InChIKeyDAXRIIUMUXKXFG-UHFFFAOYSA-N
XLogP1.33
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-(dimethylamino)propyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 108787281
N-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108787376
1-[3-(dimethylamino)propyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 108800352
1-[3-(dimethylamino)propyl]-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108800213
propyl 4-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 108800269
1-[3-(dimethylamino)propyl]-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 108800339
1-[3-(dimethylamino)propyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108787379
1-[3-(dimethylamino)propyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 108787269
N-(2-acetylphenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108800377
N-[4-(diethylamino)phenyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 113185750
1-butyl-N-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153481
1-butyl-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153547

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[3-(dimethylamino)propyl]-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (CID 108787329) is 1-[3-(dimethylamino)propyl]-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is CN(C)CCCN1CC(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DAXRIIUMUXKXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-18(2)8-3-9-19-11-12(10-15(19)21)16(22)17-13-4-6-14(7-5-13)20(23)24/h4-7,12H,3,8-11H2,1-2H3,(H,17,22).
What are the key properties of 1-[3-(dimethylamino)propyl]-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
1-[3-(dimethylamino)propyl]-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108787329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).