N'-[2-(dimethylcarbamoyl)phenyl]-N-[(2,4-dimethylphenyl)methyl]oxamide

C20H23N3O3 — CID 87044005

IUPACN'-[2-(dimethylcarbamoyl)phenyl]-N-[(2,4-dimethylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)N(C)C)c(C)c1
InChIInChI=1S/C20H23N3O3/c1-13-9-10-15(14(2)11-13)12-21-18(24)19(25)22-17-8-6-5-7-16(17)20(26)23(3)4/h5-11H,12H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyWXOJIKJDTRZVSO-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.26
Rot. Bonds4

About N'-[2-(dimethylcarbamoyl)phenyl]-N-[(2,4-dimethylphenyl)methyl]oxamide

N'-[2-(dimethylcarbamoyl)phenyl]-N-[(2,4-dimethylphenyl)methyl]oxamide (PubChem CID 87044005) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N'-[2-(dimethylcarbamoyl)phenyl]-N-[(2,4-dimethylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[2-(dimethylcarbamoyl)phenyl]-N-[(2,4-dimethylphenyl)methyl]oxamide
PubChem CID87044005
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN'-[2-(dimethylcarbamoyl)phenyl]-N-[(2,4-dimethylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)N(C)C)c(C)c1
InChIInChI=1S/C20H23N3O3/c1-13-9-10-15(14(2)11-13)12-21-18(24)19(25)22-17-8-6-5-7-16(17)20(26)23(3)4/h5-11H,12H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyWXOJIKJDTRZVSO-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylcarbamoyl)phenyl]-N-[(2,4-dimethylphenyl)methyl]oxamide?
The IUPAC name of N'-[2-(dimethylcarbamoyl)phenyl]-N-[(2,4-dimethylphenyl)methyl]oxamide (CID 87044005) is N'-[2-(dimethylcarbamoyl)phenyl]-N-[(2,4-dimethylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[2-(dimethylcarbamoyl)phenyl]-N-[(2,4-dimethylphenyl)methyl]oxamide?
The canonical SMILES for N'-[2-(dimethylcarbamoyl)phenyl]-N-[(2,4-dimethylphenyl)methyl]oxamide is Cc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)N(C)C)c(C)c1.
What is the InChIKey of N'-[2-(dimethylcarbamoyl)phenyl]-N-[(2,4-dimethylphenyl)methyl]oxamide?
The InChIKey is WXOJIKJDTRZVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-9-10-15(14(2)11-13)12-21-18(24)19(25)22-17-8-6-5-7-16(17)20(26)23(3)4/h5-11H,12H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(dimethylcarbamoyl)phenyl]-N-[(2,4-dimethylphenyl)methyl]oxamide?
N'-[2-(dimethylcarbamoyl)phenyl]-N-[(2,4-dimethylphenyl)methyl]oxamide has a molecular weight of 353.42 g/mol, XLogP of 2.26, 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-[(2,4-dimethylphenyl)methyl]oxamide is sourced from PubChem (CID 87044005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).