methyl 4-(4-carbamoylanilino)-4-oxobutanoate

C12H14N2O4 — CID 721935

IUPACmethyl 4-(4-carbamoylanilino)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H14N2O4/c1-18-11(16)7-6-10(15)14-9-4-2-8(3-5-9)12(13)17/h2-5H,6-7H2,1H3,(H2,13,17)(H,14,15)
InChIKeyUZJKBFICTQSPHA-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.68
Rot. Bonds5

About methyl 4-(4-carbamoylanilino)-4-oxobutanoate

methyl 4-(4-carbamoylanilino)-4-oxobutanoate (PubChem CID 721935) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is methyl 4-(4-carbamoylanilino)-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-(4-carbamoylanilino)-4-oxobutanoate
PubChem CID721935
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Namemethyl 4-(4-carbamoylanilino)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H14N2O4/c1-18-11(16)7-6-10(15)14-9-4-2-8(3-5-9)12(13)17/h2-5H,6-7H2,1H3,(H2,13,17)(H,14,15)
InChIKeyUZJKBFICTQSPHA-UHFFFAOYSA-N
XLogP0.68
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-(4-carbamoylanilino)-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(4-anilinoanilino)-4-oxobutanoate
CID 730573
4-O-[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl] 1-O-methyl butanedioate
CID 799819
methyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate
CID 2835080
methyl 4-oxo-4-(4-sulfamoylanilino)butanoate
CID 721949
[2-(4-carbamoylanilino)-2-oxoethyl] butanoate
CID 2092457
4-(4-hydroxybutanoylamino)benzamide
CID 79203349
methyl 4-(4-cyanoanilino)-4-oxobutanoate
CID 721957
4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9441934
methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate
CID 3310554
methyl 4-[4-(butan-2-ylcarbamoyl)anilino]-4-oxobutanoate
CID 17201246
methyl 4-oxo-4-[4-(2H-tetrazol-5-yl)anilino]butanoate
CID 110720176
propyl 4-[(4-carbamoylphenyl)carbamothioylamino]-4-oxobutanoate
CID 4933456

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-carbamoylanilino)-4-oxobutanoate?
The IUPAC name of methyl 4-(4-carbamoylanilino)-4-oxobutanoate (CID 721935) is methyl 4-(4-carbamoylanilino)-4-oxobutanoate.
What is the SMILES notation for methyl 4-(4-carbamoylanilino)-4-oxobutanoate?
The canonical SMILES for methyl 4-(4-carbamoylanilino)-4-oxobutanoate is COC(=O)CCC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of methyl 4-(4-carbamoylanilino)-4-oxobutanoate?
The InChIKey is UZJKBFICTQSPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-18-11(16)7-6-10(15)14-9-4-2-8(3-5-9)12(13)17/h2-5H,6-7H2,1H3,(H2,13,17)(H,14,15).
What are the key properties of methyl 4-(4-carbamoylanilino)-4-oxobutanoate?
methyl 4-(4-carbamoylanilino)-4-oxobutanoate has a molecular weight of 250.25 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-carbamoylanilino)-4-oxobutanoate is sourced from PubChem (CID 721935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).