N'-benzyl-N'-ethyl-N-naphthalen-2-yloxamide

C21H20N2O2 — CID 108523235

IUPACN'-benzyl-N'-ethyl-N-naphthalen-2-yloxamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H20N2O2/c1-2-23(15-16-8-4-3-5-9-16)21(25)20(24)22-19-13-12-17-10-6-7-11-18(17)14-19/h3-14H,2,15H2,1H3,(H,22,24)
InChIKeySKFXVYONLNWTNC-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.83
Rot. Bonds4

About N'-benzyl-N'-ethyl-N-naphthalen-2-yloxamide

N'-benzyl-N'-ethyl-N-naphthalen-2-yloxamide (PubChem CID 108523235) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N'-benzyl-N'-ethyl-N-naphthalen-2-yloxamide.

Molecular Properties

Compound NameN'-benzyl-N'-ethyl-N-naphthalen-2-yloxamide
PubChem CID108523235
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN'-benzyl-N'-ethyl-N-naphthalen-2-yloxamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H20N2O2/c1-2-23(15-16-8-4-3-5-9-16)21(25)20(24)22-19-13-12-17-10-6-7-11-18(17)14-19/h3-14H,2,15H2,1H3,(H,22,24)
InChIKeySKFXVYONLNWTNC-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide
CID 108523230
N-(3H-benzimidazol-5-yl)-N'-benzyl-N'-ethyloxamide
CID 108523245
N'-benzyl-N-(4-chloro-3-nitrophenyl)-N'-ethyloxamide
CID 108512739
[4-[[2-[benzyl(ethyl)amino]-2-oxoacetyl]amino]phenyl] thiocyanate
CID 108523229
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N',N'-dibenzyl-N-(3-methoxyphenyl)oxamide
CID 108519571
N',N'-diethyl-N-phenyloxamide
CID 14925038
ethyl 3-[benzyl(naphthalen-2-ylcarbamoyl)amino]propanoate
CID 3845374
N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide
CID 108523637
1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea
CID 108989076
N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide
CID 108500995
N'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide
CID 108523264

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-ethyl-N-naphthalen-2-yloxamide?
The IUPAC name of N'-benzyl-N'-ethyl-N-naphthalen-2-yloxamide (CID 108523235) is N'-benzyl-N'-ethyl-N-naphthalen-2-yloxamide.
What is the SMILES notation for N'-benzyl-N'-ethyl-N-naphthalen-2-yloxamide?
The canonical SMILES for N'-benzyl-N'-ethyl-N-naphthalen-2-yloxamide is CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of N'-benzyl-N'-ethyl-N-naphthalen-2-yloxamide?
The InChIKey is SKFXVYONLNWTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-2-23(15-16-8-4-3-5-9-16)21(25)20(24)22-19-13-12-17-10-6-7-11-18(17)14-19/h3-14H,2,15H2,1H3,(H,22,24).
What are the key properties of N'-benzyl-N'-ethyl-N-naphthalen-2-yloxamide?
N'-benzyl-N'-ethyl-N-naphthalen-2-yloxamide has a molecular weight of 332.40 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-ethyl-N-naphthalen-2-yloxamide is sourced from PubChem (CID 108523235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).