N-[2-(dimethylcarbamoyl)phenyl]-N'-[1-(4-methylphenyl)ethyl]oxamide

C20H23N3O3 — CID 87043960

IUPACN-[2-(dimethylcarbamoyl)phenyl]-N'-[1-(4-methylphenyl)ethyl]oxamide
SMILESCc1ccc(C(C)NC(=O)C(=O)Nc2ccccc2C(=O)N(C)C)cc1
InChIInChI=1S/C20H23N3O3/c1-13-9-11-15(12-10-13)14(2)21-18(24)19(25)22-17-8-6-5-7-16(17)20(26)23(3)4/h5-12,14H,1-4H3,(H,21,24)(H,22,25)
InChIKeyLSRFEUYQCZMFDZ-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.51
Rot. Bonds4

About N-[2-(dimethylcarbamoyl)phenyl]-N'-[1-(4-methylphenyl)ethyl]oxamide

N-[2-(dimethylcarbamoyl)phenyl]-N'-[1-(4-methylphenyl)ethyl]oxamide (PubChem CID 87043960) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoyl)phenyl]-N'-[1-(4-methylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoyl)phenyl]-N'-[1-(4-methylphenyl)ethyl]oxamide
PubChem CID87043960
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[2-(dimethylcarbamoyl)phenyl]-N'-[1-(4-methylphenyl)ethyl]oxamide
SMILESCc1ccc(C(C)NC(=O)C(=O)Nc2ccccc2C(=O)N(C)C)cc1
InChIInChI=1S/C20H23N3O3/c1-13-9-11-15(12-10-13)14(2)21-18(24)19(25)22-17-8-6-5-7-16(17)20(26)23(3)4/h5-12,14H,1-4H3,(H,21,24)(H,22,25)
InChIKeyLSRFEUYQCZMFDZ-UHFFFAOYSA-N
XLogP2.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(dimethylcarbamoyl)phenyl]-N-[(2,4-dimethylphenyl)methyl]oxamide
CID 87044005
N-(2-chlorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 2291188
N-[2-(dimethylamino)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide
CID 86995830
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 30386627
N-(5-methyl-2-pyridinyl)-N'-(1-phenylethyl)oxamide
CID 44997207
N'-[1-(4-methylphenyl)ethyl]oxamide
CID 69272528
N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196582
2-[1-(3-hydroxyphenyl)ethylamino]-N,N-dimethylbenzamide
CID 43738358
N-[[4-(dimethylamino)phenyl]methyl]-N'-[2-(dimethylcarbamoyl)phenyl]oxamide
CID 86996307
2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46590164
2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide
CID 2981930
N,N-dimethyl-4-[1-(4-methylphenyl)ethylcarbamothioylamino]benzamide
CID 133215308

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoyl)phenyl]-N'-[1-(4-methylphenyl)ethyl]oxamide?
The IUPAC name of N-[2-(dimethylcarbamoyl)phenyl]-N'-[1-(4-methylphenyl)ethyl]oxamide (CID 87043960) is N-[2-(dimethylcarbamoyl)phenyl]-N'-[1-(4-methylphenyl)ethyl]oxamide.
What is the SMILES notation for N-[2-(dimethylcarbamoyl)phenyl]-N'-[1-(4-methylphenyl)ethyl]oxamide?
The canonical SMILES for N-[2-(dimethylcarbamoyl)phenyl]-N'-[1-(4-methylphenyl)ethyl]oxamide is Cc1ccc(C(C)NC(=O)C(=O)Nc2ccccc2C(=O)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylcarbamoyl)phenyl]-N'-[1-(4-methylphenyl)ethyl]oxamide?
The InChIKey is LSRFEUYQCZMFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-9-11-15(12-10-13)14(2)21-18(24)19(25)22-17-8-6-5-7-16(17)20(26)23(3)4/h5-12,14H,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-(dimethylcarbamoyl)phenyl]-N'-[1-(4-methylphenyl)ethyl]oxamide?
N-[2-(dimethylcarbamoyl)phenyl]-N'-[1-(4-methylphenyl)ethyl]oxamide has a molecular weight of 353.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoyl)phenyl]-N'-[1-(4-methylphenyl)ethyl]oxamide is sourced from PubChem (CID 87043960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).