4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

C16H23N3O2 — CID 4789496

IUPAC4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCCN2CCCC2=O)cc1
InChIInChI=1S/C16H23N3O2/c1-18(2)14-8-6-13(7-9-14)16(21)17-10-4-12-19-11-3-5-15(19)20/h6-9H,3-5,10-12H2,1-2H3,(H,17,21)
InChIKeyNZEGLZSZRAOJCQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.49
Rot. Bonds6

About 4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (PubChem CID 4789496) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
PubChem CID4789496
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCCN2CCCC2=O)cc1
InChIInChI=1S/C16H23N3O2/c1-18(2)14-8-6-13(7-9-14)16(21)17-10-4-12-19-11-3-5-15(19)20/h6-9H,3-5,10-12H2,1-2H3,(H,17,21)
InChIKeyNZEGLZSZRAOJCQ-UHFFFAOYSA-N
XLogP1.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 86983246
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 103734648
4-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 18161251
4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide
CID 110444431
6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 24949519
N-[3-(dimethylamino)propyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 43910375
4-cyano-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 39959545
6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 143798014
1-oxido-N-[3-(2-oxoazepan-1-yl)propyl]pyridin-1-ium-4-carboxamide
CID 134025902
3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 30482762
2-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111147933

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (CID 4789496) is 4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is CN(C)c1ccc(C(=O)NCCCN2CCCC2=O)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The InChIKey is NZEGLZSZRAOJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18(2)14-8-6-13(7-9-14)16(21)17-10-4-12-19-11-3-5-15(19)20/h6-9H,3-5,10-12H2,1-2H3,(H,17,21).
What are the key properties of 4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide has a molecular weight of 289.38 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 4789496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).