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

C21H25N3O3 — CID 108514878

IUPACN-(4-acetylphenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc(C(C)=O)cc2)c(C)c1
InChIInChI=1S/C21H25N3O3/c1-5-24(6-2)18-11-12-19(14(3)13-18)23-21(27)20(26)22-17-9-7-16(8-10-17)15(4)25/h7-13H,5-6H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyZTRLROXKVLEGTI-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.62
Rot. Bonds6

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

N-(4-acetylphenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide (PubChem CID 108514878) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
PubChem CID108514878
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(4-acetylphenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc(C(C)=O)cc2)c(C)c1
InChIInChI=1S/C21H25N3O3/c1-5-24(6-2)18-11-12-19(14(3)13-18)23-21(27)20(26)22-17-9-7-16(8-10-17)15(4)25/h7-13H,5-6H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyZTRLROXKVLEGTI-UHFFFAOYSA-N
XLogP3.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)phenyl]oxamide
CID 108514837
N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide
CID 108522352
N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523171
N'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide
CID 108515024
1-[4-[[6-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866700
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
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
N-(3H-benzimidazol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108529290

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide?
The IUPAC name of N-(4-acetylphenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide (CID 108514878) is N-(4-acetylphenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide.
What is the SMILES notation for N-(4-acetylphenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide?
The canonical SMILES for N-(4-acetylphenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide is CCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc(C(C)=O)cc2)c(C)c1.
What is the InChIKey of N-(4-acetylphenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide?
The InChIKey is ZTRLROXKVLEGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-5-24(6-2)18-11-12-19(14(3)13-18)23-21(27)20(26)22-17-9-7-16(8-10-17)15(4)25/h7-13H,5-6H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of N-(4-acetylphenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide?
N-(4-acetylphenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide has a molecular weight of 367.45 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide is sourced from PubChem (CID 108514878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).