N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide

C21H27N3O2 — CID 108523171

IUPACN'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C21H27N3O2/c1-6-24(7-2)18-10-11-19(16(5)13-18)23-21(26)20(25)22-17-9-8-14(3)15(4)12-17/h8-13H,6-7H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyLHXXEQIUSMTZPP-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.04
Rot. Bonds5

About N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide

N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide (PubChem CID 108523171) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide
PubChem CID108523171
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C21H27N3O2/c1-6-24(7-2)18-10-11-19(16(5)13-18)23-21(26)20(25)22-17-9-8-14(3)15(4)12-17/h8-13H,6-7H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyLHXXEQIUSMTZPP-UHFFFAOYSA-N
XLogP4.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.04
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-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007443
N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide
CID 108522352
N-(4-acetylphenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108514878
methyl 3-[[2-[4-(diethylamino)-2-methylanilino]-2-oxoacetyl]amino]benzoate
CID 108987541
N'-[4-(diethylamino)-2-methylphenyl]-N-(1H-indazol-6-yl)oxamide
CID 108530134
N-(3H-benzimidazol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108529290
N-(4-chloro-3-nitrophenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108512851
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide
CID 108522130
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
1-(3,4-dichlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108866430
N'-[4-(diethylamino)-2-methylphenyl]-N-(5-hydroxypentyl)oxamide
CID 108525861

Frequently Asked Questions

What is the IUPAC name of N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide?
The IUPAC name of N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide (CID 108523171) is N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide.
What is the SMILES notation for N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide?
The canonical SMILES for N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide is CCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc(C)c(C)c2)c(C)c1.
What is the InChIKey of N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide?
The InChIKey is LHXXEQIUSMTZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-6-24(7-2)18-10-11-19(16(5)13-18)23-21(26)20(25)22-17-9-8-14(3)15(4)12-17/h8-13H,6-7H2,1-5H3,(H,22,25)(H,23,26).
What are the key properties of N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide?
N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide has a molecular weight of 353.47 g/mol, XLogP of 4.04, 5 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-(3,4-dimethylphenyl)oxamide is sourced from PubChem (CID 108523171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).