[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate

C20H21NO5 — CID 55389938

IUPAC[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OC(C(=O)NC2CC2)c2ccccc2)c(OC)c1
InChIInChI=1S/C20H21NO5/c1-24-15-10-11-16(17(12-15)25-2)20(23)26-18(13-6-4-3-5-7-13)19(22)21-14-8-9-14/h3-7,10-12,14,18H,8-9H2,1-2H3,(H,21,22)
InChIKeyHVONQKOPICFKHF-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.88
Rot. Bonds7

About [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate (PubChem CID 55389938) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
PubChem CID55389938
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OC(C(=O)NC2CC2)c2ccccc2)c(OC)c1
InChIInChI=1S/C20H21NO5/c1-24-15-10-11-16(17(12-15)25-2)20(23)26-18(13-6-4-3-5-7-13)19(22)21-14-8-9-14/h3-7,10-12,14,18H,8-9H2,1-2H3,(H,21,22)
InChIKeyHVONQKOPICFKHF-UHFFFAOYSA-N
XLogP2.88
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate
CID 9414572
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
CID 2674891
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
CID 42963212
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 27724694
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 27724693
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate
CID 18198939
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethoxy-3-methoxybenzoate
CID 8600938
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
(2S)-N-cyclopropyl-2-(2-methoxyphenoxy)-2-phenylacetamide
CID 9414957
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 8517975
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-ethylsulfanylbenzoate
CID 8722117
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927503

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate (CID 55389938) is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate is COc1ccc(C(=O)OC(C(=O)NC2CC2)c2ccccc2)c(OC)c1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate?
The InChIKey is HVONQKOPICFKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-24-15-10-11-16(17(12-15)25-2)20(23)26-18(13-6-4-3-5-7-13)19(22)21-14-8-9-14/h3-7,10-12,14,18H,8-9H2,1-2H3,(H,21,22).
What are the key properties of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate?
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate has a molecular weight of 355.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate is sourced from PubChem (CID 55389938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).