[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate

C21H22N2O5 — CID 8642070

IUPAC[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)COC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C21H22N2O5/c1-14(24)22-16-8-9-18(27-2)17(12-16)23-19(25)13-28-20(26)21(10-11-21)15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVWRJXGJFNNIZER-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.87
Rot. Bonds7

About [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate

[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate (PubChem CID 8642070) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
PubChem CID8642070
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)COC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C21H22N2O5/c1-14(24)22-16-8-9-18(27-2)17(12-16)23-19(25)13-28-20(26)21(10-11-21)15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVWRJXGJFNNIZER-UHFFFAOYSA-N
XLogP2.87
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,4-diacetamidophenyl)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8559302
[2-(4-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8587986
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8588907
[2-(4-acetylanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8588587
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate
CID 9016443
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate
CID 9015180
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-phenoxybenzoate
CID 55397543
N-(5-acetamido-2-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 26243035
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927664
[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-(5-acetamido-2-methoxyanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 9289124

Frequently Asked Questions

What is the IUPAC name of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The IUPAC name of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate (CID 8642070) is [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The canonical SMILES for [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate is COc1ccc(NC(C)=O)cc1NC(=O)COC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The InChIKey is VWRJXGJFNNIZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-14(24)22-16-8-9-18(27-2)17(12-16)23-19(25)13-28-20(26)21(10-11-21)15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate has a molecular weight of 382.42 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 8642070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).