[2-(2,4-diacetamidophenyl)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate

C22H22N2O5 — CID 8559302

IUPAC[2-(2,4-diacetamidophenyl)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)C2(c3ccccc3)CC2)c(NC(C)=O)c1
InChIInChI=1S/C22H22N2O5/c1-14(25)23-17-8-9-18(19(12-17)24-15(2)26)20(27)13-29-21(28)22(10-11-22)16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyVYADVCBMFYMBQH-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.06
Rot. Bonds7

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

[2-(2,4-diacetamidophenyl)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate (PubChem CID 8559302) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is [2-(2,4-diacetamidophenyl)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-(2,4-diacetamidophenyl)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
PubChem CID8559302
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name[2-(2,4-diacetamidophenyl)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)C2(c3ccccc3)CC2)c(NC(C)=O)c1
InChIInChI=1S/C22H22N2O5/c1-14(25)23-17-8-9-18(19(12-17)24-15(2)26)20(27)13-29-21(28)22(10-11-22)16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyVYADVCBMFYMBQH-UHFFFAOYSA-N
XLogP3.06
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8642070
[2-(2,4-diacetamidophenyl)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 8954370
[2-(4-acetylanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8588587
[2-(4-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8587986
[2-(3-acetamidoanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8589110
[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-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate
CID 27097179
[2-(2,4-diacetamidophenyl)-2-oxoethyl] (1R,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 50985764
[2-(3,4-dichlorophenyl)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 42983074
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8951289
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-phenylcyclopropane-1-carboxylate
CID 2113866

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-diacetamidophenyl)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The IUPAC name of [2-(2,4-diacetamidophenyl)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate (CID 8559302) is [2-(2,4-diacetamidophenyl)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-(2,4-diacetamidophenyl)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The canonical SMILES for [2-(2,4-diacetamidophenyl)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate is CC(=O)Nc1ccc(C(=O)COC(=O)C2(c3ccccc3)CC2)c(NC(C)=O)c1.
What is the InChIKey of [2-(2,4-diacetamidophenyl)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The InChIKey is VYADVCBMFYMBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-14(25)23-17-8-9-18(19(12-17)24-15(2)26)20(27)13-29-21(28)22(10-11-22)16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of [2-(2,4-diacetamidophenyl)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
[2-(2,4-diacetamidophenyl)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate has a molecular weight of 394.43 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-diacetamidophenyl)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 8559302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).