methyl 3-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-3-oxopropanoate

C19H20N2O4 — CID 28637999

IUPACmethyl 3-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-3-oxopropanoate
SMILESCOC(=O)CC(=O)Nc1ccccc1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C19H20N2O4/c1-12-8-9-14(10-13(12)2)20-19(24)15-6-4-5-7-16(15)21-17(22)11-18(23)25-3/h4-10H,11H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyDAMXSTNINQOEED-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.06
Rot. Bonds5

About methyl 3-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-3-oxopropanoate

methyl 3-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-3-oxopropanoate (PubChem CID 28637999) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 3-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-3-oxopropanoate
PubChem CID28637999
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namemethyl 3-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-3-oxopropanoate
SMILESCOC(=O)CC(=O)Nc1ccccc1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C19H20N2O4/c1-12-8-9-14(10-13(12)2)20-19(24)15-6-4-5-7-16(15)21-17(22)11-18(23)25-3/h4-10H,11H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyDAMXSTNINQOEED-UHFFFAOYSA-N
XLogP3.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]hexanediamide
CID 4945136
1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
CID 4945134
N-(3,4-dimethylphenyl)-2-[[2-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 17355422
methyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate
CID 28638140
2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide
CID 4944441
methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate
CID 28638001
N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-2-methylbenzamide
CID 4944581
5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-methoxybenzamide
CID 17094295
N-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)amino]benzamide
CID 4948024
3-phenylpropyl 5-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-5-oxopentanoate
CID 4923883
methyl 3-(2-carbamoylanilino)-3-oxopropanoate
CID 25049818
N-(3,4-dimethylphenyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 4944335

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-3-oxopropanoate?
The IUPAC name of methyl 3-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-3-oxopropanoate (CID 28637999) is methyl 3-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-3-oxopropanoate.
What is the SMILES notation for methyl 3-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-3-oxopropanoate?
The canonical SMILES for methyl 3-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-3-oxopropanoate is COC(=O)CC(=O)Nc1ccccc1C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of methyl 3-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-3-oxopropanoate?
The InChIKey is DAMXSTNINQOEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-8-9-14(10-13(12)2)20-19(24)15-6-4-5-7-16(15)21-17(22)11-18(23)25-3/h4-10H,11H2,1-3H3,(H,20,24)(H,21,22).
What are the key properties of methyl 3-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-3-oxopropanoate?
methyl 3-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-3-oxopropanoate has a molecular weight of 340.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-3-oxopropanoate is sourced from PubChem (CID 28637999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).