[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methoxybenzoate

C20H21NO5 — CID 7560736

IUPAC[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methoxybenzoate
SMILESCCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C20H21NO5/c1-3-6-19(23)21-15-11-9-14(10-12-15)17(22)13-26-20(24)16-7-4-5-8-18(16)25-2/h4-5,7-12H,3,6,13H2,1-2H3,(H,21,23)
InChIKeyJZGMMBTZCNKTAV-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.47
Rot. Bonds8

About [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methoxybenzoate

[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methoxybenzoate (PubChem CID 7560736) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methoxybenzoate
PubChem CID7560736
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methoxybenzoate
SMILESCCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C20H21NO5/c1-3-6-19(23)21-15-11-9-14(10-12-15)17(22)13-26-20(24)16-7-4-5-8-18(16)25-2/h4-5,7-12H,3,6,13H2,1-2H3,(H,21,23)
InChIKeyJZGMMBTZCNKTAV-UHFFFAOYSA-N
XLogP3.47
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 7433080
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7488074
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate
CID 7811220
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 16556425
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 38909124
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3,4-dimethylbenzoate
CID 7560345
[2-(4-acetamidophenyl)-2-oxoethyl] 2-ethoxybenzoate
CID 18075363
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-iodobenzoate
CID 46805683
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2,4,5-trimethoxybenzoate
CID 7394924
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate
CID 7229145
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 46805056
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189

Frequently Asked Questions

What is the IUPAC name of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methoxybenzoate?
The IUPAC name of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methoxybenzoate (CID 7560736) is [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methoxybenzoate.
What is the SMILES notation for [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methoxybenzoate?
The canonical SMILES for [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methoxybenzoate is CCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccccc2OC)cc1.
What is the InChIKey of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methoxybenzoate?
The InChIKey is JZGMMBTZCNKTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-3-6-19(23)21-15-11-9-14(10-12-15)17(22)13-26-20(24)16-7-4-5-8-18(16)25-2/h4-5,7-12H,3,6,13H2,1-2H3,(H,21,23).
What are the key properties of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methoxybenzoate?
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methoxybenzoate has a molecular weight of 355.39 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methoxybenzoate is sourced from PubChem (CID 7560736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).