[2-(4-acetylanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate

C20H19NO4 — CID 8588587

IUPAC[2-(4-acetylanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)C2(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H19NO4/c1-14(22)15-7-9-17(10-8-15)21-18(23)13-25-19(24)20(11-12-20)16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,21,23)
InChIKeyDWSPDGNZXFEAHQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.10
Rot. Bonds6

About [2-(4-acetylanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate

[2-(4-acetylanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate (PubChem CID 8588587) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
PubChem CID8588587
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)C2(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H19NO4/c1-14(22)15-7-9-17(10-8-15)21-18(23)13-25-19(24)20(11-12-20)16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,21,23)
InChIKeyDWSPDGNZXFEAHQ-UHFFFAOYSA-N
XLogP3.10
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8587986
[2-(4-chloroanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8588474
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-phenylcyclopropane-1-carboxylate
CID 8587838
[2-(4-acetylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2417695
(2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate
CID 27097179
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8951289
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8642070
(2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866420
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611557
[2-(3-acetamidoanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8589110
[2-(4-acetylanilino)-2-oxoethyl] 4-(phenylcarbamothioylamino)benzoate
CID 19059169
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-phenylcyclopropane-1-carboxylate
CID 2113866

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate (CID 8588587) is [2-(4-acetylanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate is CC(=O)c1ccc(NC(=O)COC(=O)C2(c3ccccc3)CC2)cc1.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The InChIKey is DWSPDGNZXFEAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-14(22)15-7-9-17(10-8-15)21-18(23)13-25-19(24)20(11-12-20)16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,21,23).
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
[2-(4-acetylanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 8588587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).