4-(dimethylamino)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)benzamide

C16H21N3O3 — CID 122145655

IUPAC4-(dimethylamino)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
SMILESCC(C)N1C(=O)CC(NC(=O)c2ccc(N(C)C)cc2)C1=O
InChIInChI=1S/C16H21N3O3/c1-10(2)19-14(20)9-13(16(19)22)17-15(21)11-5-7-12(8-6-11)18(3)4/h5-8,10,13H,9H2,1-4H3,(H,17,21)
InChIKeyKKTVRZGBGJTBAZ-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.02
Rot. Bonds4

About 4-(dimethylamino)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)benzamide

4-(dimethylamino)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)benzamide (PubChem CID 122145655) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
PubChem CID122145655
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name4-(dimethylamino)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
SMILESCC(C)N1C(=O)CC(NC(=O)c2ccc(N(C)C)cc2)C1=O
InChIInChI=1S/C16H21N3O3/c1-10(2)19-14(20)9-13(16(19)22)17-15(21)11-5-7-12(8-6-11)18(3)4/h5-8,10,13H,9H2,1-4H3,(H,17,21)
InChIKeyKKTVRZGBGJTBAZ-UHFFFAOYSA-N
XLogP1.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]indolizine-2-carboxamide
CID 98545792
N-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 98218270
4-(dimethylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 71839219
(2R)-N-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-thiophen-3-ylpropanamide
CID 98343599
2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide
CID 120669178
N-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 98212790
(2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
CID 83194716
4-(dimethylamino)-N-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 827748
N-(2-aminocyclopropyl)-4-(dimethylamino)benzamide
CID 43593768
4-(dimethylamino)-N-propan-2-ylbenzamide
CID 18712040
1-(3,5-dimethylphenyl)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 154737230
1-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119343946

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)benzamide (CID 122145655) is 4-(dimethylamino)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)benzamide is CC(C)N1C(=O)CC(NC(=O)c2ccc(N(C)C)cc2)C1=O.
What is the InChIKey of 4-(dimethylamino)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)benzamide?
The InChIKey is KKTVRZGBGJTBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10(2)19-14(20)9-13(16(19)22)17-15(21)11-5-7-12(8-6-11)18(3)4/h5-8,10,13H,9H2,1-4H3,(H,17,21).
What are the key properties of 4-(dimethylamino)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)benzamide?
4-(dimethylamino)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)benzamide has a molecular weight of 303.36 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 122145655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).