N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide

C21H27N3O2 — CID 108522352

IUPACN'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)Nc2ccc(N(CC)CC)cc2C)cc1
InChIInChI=1S/C21H27N3O2/c1-5-16-8-10-17(11-9-16)22-20(25)21(26)23-19-13-12-18(14-15(19)4)24(6-2)7-3/h8-14H,5-7H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyXYGKGIDAXLSAAZ-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.98
Rot. Bonds6

About N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide

N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide (PubChem CID 108522352) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide.

Molecular Properties

Compound NameN'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide
PubChem CID108522352
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)Nc2ccc(N(CC)CC)cc2C)cc1
InChIInChI=1S/C21H27N3O2/c1-5-16-8-10-17(11-9-16)22-20(25)21(26)23-19-13-12-18(14-15(19)4)24(6-2)7-3/h8-14H,5-7H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyXYGKGIDAXLSAAZ-UHFFFAOYSA-N
XLogP3.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108514878
N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523171
2-(N-acetyl-4-ethylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 113169389
N-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide
CID 108530640
methyl 3-[[2-[4-(diethylamino)-2-methylanilino]-2-oxoacetyl]amino]benzoate
CID 108987541
1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108868696
1-N'-[4-(diethylamino)-2-methylphenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980933
N'-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503202
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide
CID 108522130
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
N'-[4-(diethylamino)-2-methylphenyl]-N-(1H-indazol-6-yl)oxamide
CID 108530134

Frequently Asked Questions

What is the IUPAC name of N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide?
The IUPAC name of N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide (CID 108522352) is N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide.
What is the SMILES notation for N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide?
The canonical SMILES for N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide is CCc1ccc(NC(=O)C(=O)Nc2ccc(N(CC)CC)cc2C)cc1.
What is the InChIKey of N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide?
The InChIKey is XYGKGIDAXLSAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-16-8-10-17(11-9-16)22-20(25)21(26)23-19-13-12-18(14-15(19)4)24(6-2)7-3/h8-14H,5-7H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide?
N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide has a molecular weight of 353.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide is sourced from PubChem (CID 108522352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).