[2-(3-acetamidoanilino)-2-oxoethyl] cyclopropanecarboxylate

C14H16N2O4 — CID 7863201

IUPAC[2-(3-acetamidoanilino)-2-oxoethyl] cyclopropanecarboxylate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)C2CC2)c1
InChIInChI=1S/C14H16N2O4/c1-9(17)15-11-3-2-4-12(7-11)16-13(18)8-20-14(19)10-5-6-10/h2-4,7,10H,5-6,8H2,1H3,(H,15,17)(H,16,18)
InChIKeyDVQQTGDOLMQNMT-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.54
Rot. Bonds5

About [2-(3-acetamidoanilino)-2-oxoethyl] cyclopropanecarboxylate

[2-(3-acetamidoanilino)-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 7863201) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is [2-(3-acetamidoanilino)-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-(3-acetamidoanilino)-2-oxoethyl] cyclopropanecarboxylate
PubChem CID7863201
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name[2-(3-acetamidoanilino)-2-oxoethyl] cyclopropanecarboxylate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)C2CC2)c1
InChIInChI=1S/C14H16N2O4/c1-9(17)15-11-3-2-4-12(7-11)16-13(18)8-20-14(19)10-5-6-10/h2-4,7,10H,5-6,8H2,1H3,(H,15,17)(H,16,18)
InChIKeyDVQQTGDOLMQNMT-UHFFFAOYSA-N
XLogP1.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-acetamidoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 7794425
trans-[2-(3-acetamidoanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 7776746
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 35051099
[2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 7722315
[2-(3-iodoanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2410507
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717421
[2-(3-acetamidoanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8671933
ethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate
CID 108884066
[2-(3-acetamidoanilino)-2-oxoethyl] 3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 7635014
[2-(3-acetamidoanilino)-2-oxoethyl] 4-cyclohexylbenzoate
CID 8538394
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate
CID 42151008
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 3569637

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] cyclopropanecarboxylate (CID 7863201) is [2-(3-acetamidoanilino)-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-(3-acetamidoanilino)-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-(3-acetamidoanilino)-2-oxoethyl] cyclopropanecarboxylate is CC(=O)Nc1cccc(NC(=O)COC(=O)C2CC2)c1.
What is the InChIKey of [2-(3-acetamidoanilino)-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is DVQQTGDOLMQNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-9(17)15-11-3-2-4-12(7-11)16-13(18)8-20-14(19)10-5-6-10/h2-4,7,10H,5-6,8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of [2-(3-acetamidoanilino)-2-oxoethyl] cyclopropanecarboxylate?
[2-(3-acetamidoanilino)-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 276.29 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetamidoanilino)-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 7863201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).