N-benzyl-2-oxopentanediamide

C12H14N2O3 — CID 162387847

IUPACN-benzyl-2-oxopentanediamide
SMILESNC(=O)CCC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C12H14N2O3/c13-11(16)7-6-10(15)12(17)14-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,13,16)(H,14,17)
InChIKeyZBTKZDSDHWSCOZ-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.14
Rot. Bonds6

About N-benzyl-2-oxopentanediamide

N-benzyl-2-oxopentanediamide (PubChem CID 162387847) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-benzyl-2-oxopentanediamide.

Molecular Properties

Compound NameN-benzyl-2-oxopentanediamide
PubChem CID162387847
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC NameN-benzyl-2-oxopentanediamide
SMILESNC(=O)CCC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C12H14N2O3/c13-11(16)7-6-10(15)12(17)14-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,13,16)(H,14,17)
InChIKeyZBTKZDSDHWSCOZ-UHFFFAOYSA-N
XLogP0.14
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.14
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'-benzylbutanediamide
CID 4682951
N'-benzyloxamide
CID 561416
benzene;benzylurea;hydrazine
CID 68793593
5-(benzylcarbamoylamino)pentanamide
CID 106235188
N'-(2-amino-2-sulfanylideneethyl)-N-benzyloxamide
CID 43316161
carbonic acid;3-phenylpropanamide
CID 174965682
N-benzyl-5,5-dimethyl-2,4-dioxohexanamide
CID 15445664
N-benzyl-2-methylprop-2-enamide;hydrazine
CID 157480946
carbanide;3-phenylpropanamide;yttrium
CID 160557542
(2S)-5-amino-2-(benzylcarbamoylamino)-5-oxopentanoic acid
CID 61181145
2-(benzylcarbamothioylamino)acetamide
CID 123762736
N-benzyl-2-oxo-5-(4-phenylmethoxyphenyl)pentanamide
CID 54443194

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-oxopentanediamide?
The IUPAC name of N-benzyl-2-oxopentanediamide (CID 162387847) is N-benzyl-2-oxopentanediamide.
What is the SMILES notation for N-benzyl-2-oxopentanediamide?
The canonical SMILES for N-benzyl-2-oxopentanediamide is NC(=O)CCC(=O)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-oxopentanediamide?
The InChIKey is ZBTKZDSDHWSCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c13-11(16)7-6-10(15)12(17)14-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,13,16)(H,14,17).
What are the key properties of N-benzyl-2-oxopentanediamide?
N-benzyl-2-oxopentanediamide has a molecular weight of 234.26 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-oxopentanediamide is sourced from PubChem (CID 162387847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).