3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide

C14H19N3O2 — CID 18086394

IUPAC3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide
SMILESCC(Nc1cccc(C(N)=O)c1)C(=O)N1CCCC1
InChIInChI=1S/C14H19N3O2/c1-10(14(19)17-7-2-3-8-17)16-12-6-4-5-11(9-12)13(15)18/h4-6,9-10,16H,2-3,7-8H2,1H3,(H2,15,18)
InChIKeyZRMJYEWMCNXSOL-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.21
Rot. Bonds4

About 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide

3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide (PubChem CID 18086394) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide.

Molecular Properties

Compound Name3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide
PubChem CID18086394
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide
SMILESCC(Nc1cccc(C(N)=O)c1)C(=O)N1CCCC1
InChIInChI=1S/C14H19N3O2/c1-10(14(19)17-7-2-3-8-17)16-12-6-4-5-11(9-12)13(15)18/h4-6,9-10,16H,2-3,7-8H2,1H3,(H2,15,18)
InChIKeyZRMJYEWMCNXSOL-UHFFFAOYSA-N
XLogP1.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]benzamide
CID 9361250
3-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]benzamide
CID 94819637
2-(3-ethylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083698
2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one
CID 43083385
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696
2-(3-nitroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 112683085
(2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 41328427
1-(3-acetylphenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
CID 94819026
1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985
3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103600833
2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one
CID 115571713
2-(4-bromo-3-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083553

Frequently Asked Questions

What is the IUPAC name of 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide?
The IUPAC name of 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide (CID 18086394) is 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide.
What is the SMILES notation for 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide?
The canonical SMILES for 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide is CC(Nc1cccc(C(N)=O)c1)C(=O)N1CCCC1.
What is the InChIKey of 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide?
The InChIKey is ZRMJYEWMCNXSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(14(19)17-7-2-3-8-17)16-12-6-4-5-11(9-12)13(15)18/h4-6,9-10,16H,2-3,7-8H2,1H3,(H2,15,18).
What are the key properties of 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide?
3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide has a molecular weight of 261.33 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide is sourced from PubChem (CID 18086394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).