N-(3,4-dimethylphenyl)-N'-naphthalen-1-yloxamide

C20H18N2O2 — CID 108523122

IUPACN-(3,4-dimethylphenyl)-N'-naphthalen-1-yloxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2cccc3ccccc23)cc1C
InChIInChI=1S/C20H18N2O2/c1-13-10-11-16(12-14(13)2)21-19(23)20(24)22-18-9-5-7-15-6-3-4-8-17(15)18/h3-12H,1-2H3,(H,21,23)(H,22,24)
InChIKeyAMJXCTCPVMXPJW-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.03
Rot. Bonds2

About N-(3,4-dimethylphenyl)-N'-naphthalen-1-yloxamide

N-(3,4-dimethylphenyl)-N'-naphthalen-1-yloxamide (PubChem CID 108523122) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N'-naphthalen-1-yloxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N'-naphthalen-1-yloxamide
PubChem CID108523122
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-(3,4-dimethylphenyl)-N'-naphthalen-1-yloxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2cccc3ccccc23)cc1C
InChIInChI=1S/C20H18N2O2/c1-13-10-11-16(12-14(13)2)21-19(23)20(24)22-18-9-5-7-15-6-3-4-8-17(15)18/h3-12H,1-2H3,(H,21,23)(H,22,24)
InChIKeyAMJXCTCPVMXPJW-UHFFFAOYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.03
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

N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
N-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515146
N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide
CID 108513330
N-(4-butylphenyl)-N'-naphthalen-1-yloxamide
CID 108502463
N-[(3,4-dimethylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 882008
N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide
CID 108500558
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
1-[(3,4-dimethylphenoxy)methyl]-3-naphthalen-1-ylurea
CID 108879176
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 3906228
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077
N-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide
CID 3102414

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N'-naphthalen-1-yloxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N'-naphthalen-1-yloxamide (CID 108523122) is N-(3,4-dimethylphenyl)-N'-naphthalen-1-yloxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N'-naphthalen-1-yloxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N'-naphthalen-1-yloxamide is Cc1ccc(NC(=O)C(=O)Nc2cccc3ccccc23)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N'-naphthalen-1-yloxamide?
The InChIKey is AMJXCTCPVMXPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-13-10-11-16(12-14(13)2)21-19(23)20(24)22-18-9-5-7-15-6-3-4-8-17(15)18/h3-12H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(3,4-dimethylphenyl)-N'-naphthalen-1-yloxamide?
N-(3,4-dimethylphenyl)-N'-naphthalen-1-yloxamide has a molecular weight of 318.38 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N'-naphthalen-1-yloxamide is sourced from PubChem (CID 108523122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).