methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate

C14H18N2O4 — CID 28638001

IUPACmethyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate
SMILESCOC(=O)CC(=O)Nc1ccccc1C(=O)NC(C)C
InChIInChI=1S/C14H18N2O4/c1-9(2)15-14(19)10-6-4-5-7-11(10)16-12(17)8-13(18)20-3/h4-7,9H,8H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyRYFKZEYTTAEIPY-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.33
Rot. Bonds5

About methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate

methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate (PubChem CID 28638001) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate.

Molecular Properties

Compound Namemethyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate
PubChem CID28638001
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate
SMILESCOC(=O)CC(=O)Nc1ccccc1C(=O)NC(C)C
InChIInChI=1S/C14H18N2O4/c1-9(2)15-14(19)10-6-4-5-7-11(10)16-12(17)8-13(18)20-3/h4-7,9H,8H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyRYFKZEYTTAEIPY-UHFFFAOYSA-N
XLogP1.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.33
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

2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide
CID 119279299
methyl 3-(2-carbamoylanilino)-3-oxopropanoate
CID 25049818
2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 78865415
2-(2-methylpropanoylamino)-N-propan-2-ylbenzamide
CID 34564562
methyl 3-[2-(butylcarbamoyl)anilino]-3-oxopropanoate
CID 28638069
2-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 100635454
methyl 3-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-3-oxopropanoate
CID 28637999
methyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17175300
2-methoxyethyl 4-oxo-4-[[2-(propan-2-ylcarbamoyl)phenyl]carbamothioylamino]butanoate
CID 17338904
2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 3939264
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 4945322
2-[(3-iodobenzoyl)amino]-N-propan-2-ylbenzamide
CID 34567999

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate?
The IUPAC name of methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate (CID 28638001) is methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate.
What is the SMILES notation for methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate?
The canonical SMILES for methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate is COC(=O)CC(=O)Nc1ccccc1C(=O)NC(C)C.
What is the InChIKey of methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate?
The InChIKey is RYFKZEYTTAEIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9(2)15-14(19)10-6-4-5-7-11(10)16-12(17)8-13(18)20-3/h4-7,9H,8H2,1-3H3,(H,15,19)(H,16,17).
What are the key properties of methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate?
methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate has a molecular weight of 278.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate is sourced from PubChem (CID 28638001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).