[1-(3-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate

C16H19NO4 — CID 24816587

IUPAC[1-(3-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
SMILESCC(=O)c1cccc(NC(=O)C(C)OC(=O)C2CCC2)c1
InChIInChI=1S/C16H19NO4/c1-10(18)13-7-4-8-14(9-13)17-15(19)11(2)21-16(20)12-5-3-6-12/h4,7-9,11-12H,3,5-6H2,1-2H3,(H,17,19)
InChIKeyVLDFDCSROMOMLP-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.56
Rot. Bonds5

About [1-(3-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate

[1-(3-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate (PubChem CID 24816587) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is [1-(3-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[1-(3-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
PubChem CID24816587
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name[1-(3-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
SMILESCC(=O)c1cccc(NC(=O)C(C)OC(=O)C2CCC2)c1
InChIInChI=1S/C16H19NO4/c1-10(18)13-7-4-8-14(9-13)17-15(19)11(2)21-16(20)12-5-3-6-12/h4,7-9,11-12H,3,5-6H2,1-2H3,(H,17,19)
InChIKeyVLDFDCSROMOMLP-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

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Related Compounds

[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-(3-Methylbutanoylamino)phenyl]-2-oxoethyl] cyclobutanecarboxylate
CID 7717310
2-(4-Butanamidophenyl)-2-oxoethyl 2-methylcyclopropane-1-carboxylate
CID 16296498
butyl N-(3-acetylphenyl)carbamate
CID 1640925
3-[[2-(3-Methylbutoxy)acetyl]amino]benzoic acid
CID 666726
[2-(2,4-Difluoroanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2432465
N-[3-(2-methylpropylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2977042
[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 24686819
[1-(4-Carbamoylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 24979168

Frequently Asked Questions

What is the IUPAC name of [1-(3-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate?
The IUPAC name of [1-(3-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate (CID 24816587) is [1-(3-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate.
What is the SMILES notation for [1-(3-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate?
The canonical SMILES for [1-(3-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate is CC(=O)c1cccc(NC(=O)C(C)OC(=O)C2CCC2)c1.
What is the InChIKey of [1-(3-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate?
The InChIKey is VLDFDCSROMOMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10(18)13-7-4-8-14(9-13)17-15(19)11(2)21-16(20)12-5-3-6-12/h4,7-9,11-12H,3,5-6H2,1-2H3,(H,17,19).
What are the key properties of [1-(3-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate?
[1-(3-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-(3-acetylanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate is sourced from PubChem (CID 24816587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).