N-benzyl-N,N'-dimethyl-N'-phenyloxamide

C17H18N2O2 — CID 108518736

IUPACN-benzyl-N,N'-dimethyl-N'-phenyloxamide
SMILESCN(Cc1ccccc1)C(=O)C(=O)N(C)c1ccccc1
InChIInChI=1S/C17H18N2O2/c1-18(13-14-9-5-3-6-10-14)16(20)17(21)19(2)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3
InChIKeyAKAMDDDVGDCLKF-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.31
Rot. Bonds3

About N-benzyl-N,N'-dimethyl-N'-phenyloxamide

N-benzyl-N,N'-dimethyl-N'-phenyloxamide (PubChem CID 108518736) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-benzyl-N,N'-dimethyl-N'-phenyloxamide.

Molecular Properties

Compound NameN-benzyl-N,N'-dimethyl-N'-phenyloxamide
PubChem CID108518736
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-benzyl-N,N'-dimethyl-N'-phenyloxamide
SMILESCN(Cc1ccccc1)C(=O)C(=O)N(C)c1ccccc1
InChIInChI=1S/C17H18N2O2/c1-18(13-14-9-5-3-6-10-14)16(20)17(21)19(2)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3
InChIKeyAKAMDDDVGDCLKF-UHFFFAOYSA-N
XLogP2.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[benzyl(methyl)amino]-2,3-dioxopropanoic acid
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N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide
CID 108518757
N-benzyl-N'-tert-butyl-N'-ethyl-N-methyloxamide
CID 108518842
1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea
CID 102087600
1-[(4-chlorophenyl)methyl]-1,3-dimethyl-3-phenylurea
CID 580681
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
fluoro N-benzyl-N-methylcarbamate
CID 144758254
N'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide
CID 108514233
N'-acetyl-N'-(2-aminoethyl)-N-benzyl-N-methyloxamide
CID 108518840
N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide
CID 108984872
N-methyl-N',N'-bis(2-methylpropyl)-N-phenyloxamide
CID 108520978

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,N'-dimethyl-N'-phenyloxamide?
The IUPAC name of N-benzyl-N,N'-dimethyl-N'-phenyloxamide (CID 108518736) is N-benzyl-N,N'-dimethyl-N'-phenyloxamide.
What is the SMILES notation for N-benzyl-N,N'-dimethyl-N'-phenyloxamide?
The canonical SMILES for N-benzyl-N,N'-dimethyl-N'-phenyloxamide is CN(Cc1ccccc1)C(=O)C(=O)N(C)c1ccccc1.
What is the InChIKey of N-benzyl-N,N'-dimethyl-N'-phenyloxamide?
The InChIKey is AKAMDDDVGDCLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-18(13-14-9-5-3-6-10-14)16(20)17(21)19(2)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3.
What are the key properties of N-benzyl-N,N'-dimethyl-N'-phenyloxamide?
N-benzyl-N,N'-dimethyl-N'-phenyloxamide has a molecular weight of 282.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,N'-dimethyl-N'-phenyloxamide is sourced from PubChem (CID 108518736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).