N'-benzyloxamide

C9H10N2O2 — CID 561416

IUPACN'-benzyloxamide
SMILESNC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C9H10N2O2/c10-8(12)9(13)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)(H,11,13)
InChIKeyQTLZZEJLDIJMQW-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.21
Rot. Bonds2

About N'-benzyloxamide

N'-benzyloxamide (PubChem CID 561416) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is N'-benzyloxamide.

Molecular Properties

Compound NameN'-benzyloxamide
PubChem CID561416
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC NameN'-benzyloxamide
SMILESNC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C9H10N2O2/c10-8(12)9(13)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)(H,11,13)
InChIKeyQTLZZEJLDIJMQW-UHFFFAOYSA-N
XLogP-0.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene;benzylurea;hydrazine
CID 68793593
N'-(2-amino-2-sulfanylideneethyl)-N-benzyloxamide
CID 43316161
N-benzyl-2-oxopentanediamide
CID 162387847
(Z)-3-amino-N-benzyl-2-cyanobut-2-enamide
CID 91998931
N-benzyl-2-methylprop-2-enamide;hydrazine
CID 157480946
N'-[(4-methoxyphenyl)methyl]oxamide
CID 2243752
N'-benzylbutanediamide
CID 4682951
N-benzyl-N'-(4-carbamoylphenyl)oxamide
CID 7584954
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
N'-[(3-methylsulfonylphenyl)methyl]oxamide
CID 168950555
(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
CID 102438932
N'-[(4-ethoxyphenyl)methyl]oxamide
CID 115191812

Frequently Asked Questions

What is the IUPAC name of N'-benzyloxamide?
The IUPAC name of N'-benzyloxamide (CID 561416) is N'-benzyloxamide.
What is the SMILES notation for N'-benzyloxamide?
The canonical SMILES for N'-benzyloxamide is NC(=O)C(=O)NCc1ccccc1.
What is the InChIKey of N'-benzyloxamide?
The InChIKey is QTLZZEJLDIJMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-8(12)9(13)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)(H,11,13).
What are the key properties of N'-benzyloxamide?
N'-benzyloxamide has a molecular weight of 178.19 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyloxamide is sourced from PubChem (CID 561416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).