[1-(4-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate

C16H19NO4 — CID 16522702

IUPAC[1-(4-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
SMILESCC(=O)c1ccc(NC(=O)C(C)OC(=O)C2CCC2)cc1
InChIInChI=1S/C16H19NO4/c1-10(18)12-6-8-14(9-7-12)17-15(19)11(2)21-16(20)13-4-3-5-13/h6-9,11,13H,3-5H2,1-2H3,(H,17,19)
InChIKeyBYDULDULKMFIFQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.56
Rot. Bonds5

About [1-(4-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate

[1-(4-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate (PubChem CID 16522702) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is [1-(4-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[1-(4-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
PubChem CID16522702
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name[1-(4-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
SMILESCC(=O)c1ccc(NC(=O)C(C)OC(=O)C2CCC2)cc1
InChIInChI=1S/C16H19NO4/c1-10(18)12-6-8-14(9-7-12)17-15(19)11(2)21-16(20)13-4-3-5-13/h6-9,11,13H,3-5H2,1-2H3,(H,17,19)
InChIKeyBYDULDULKMFIFQ-UHFFFAOYSA-N
XLogP2.56
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(4-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate 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

4-p-Tolylcarbamoyl-butyric acid 1-methyl-2-oxo-2-phenyl-ethyl ester
CID 2901381
[2-Oxo-2-(4-propan-2-ylanilino)ethyl] 2-cyclopentylacetate
CID 2343268
[2-(4-Acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2380175
[2-(4-Carbamoylanilino)-2-oxoethyl] 3-cyclohexylpropanoate
CID 2416940
[2-(2-Acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2511241
N-(4-acetylphenyl)oxolane-2-carboxamide
CID 3155118
[2-(4-Carbamoylanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 3576629
[2-[4-(3-Methylbutanoylamino)phenyl]-2-oxoethyl] cyclobutanecarboxylate
CID 7717310
[2-(4-Acetamido-2-fluorophenyl)-2-oxoethyl] cyclohexanecarboxylate
CID 8220578
2-(4-Butanamidophenyl)-2-oxoethyl 2-methylcyclopropane-1-carboxylate
CID 16296498
[1-(3-Acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 24816587
Methyl (4-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}phenyl)carbamate
CID 2961671

Frequently Asked Questions

What is the IUPAC name of [1-(4-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate?
The IUPAC name of [1-(4-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate (CID 16522702) is [1-(4-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate.
What is the SMILES notation for [1-(4-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate?
The canonical SMILES for [1-(4-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate is CC(=O)c1ccc(NC(=O)C(C)OC(=O)C2CCC2)cc1.
What is the InChIKey of [1-(4-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate?
The InChIKey is BYDULDULKMFIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10(18)12-6-8-14(9-7-12)17-15(19)11(2)21-16(20)13-4-3-5-13/h6-9,11,13H,3-5H2,1-2H3,(H,17,19).
What are the key properties of [1-(4-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate?
[1-(4-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate has a molecular weight of 289.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate is sourced from PubChem (CID 16522702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).