[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate

C18H19NO4 — CID 7832261

IUPAC[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate
SMILESCCOc1ccc(C(=O)COC(=O)c2ccccc2NC)cc1
InChIInChI=1S/C18H19NO4/c1-3-22-14-10-8-13(9-11-14)17(20)12-23-18(21)15-6-4-5-7-16(15)19-2/h4-11,19H,3,12H2,1-2H3
InChIKeyYVIXUQVVCPKPEH-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.17
Rot. Bonds7

About [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate

[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate (PubChem CID 7832261) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate
PubChem CID7832261
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate
SMILESCCOc1ccc(C(=O)COC(=O)c2ccccc2NC)cc1
InChIInChI=1S/C18H19NO4/c1-3-22-14-10-8-13(9-11-14)17(20)12-23-18(21)15-6-4-5-7-16(15)19-2/h4-11,19H,3,12H2,1-2H3
InChIKeyYVIXUQVVCPKPEH-UHFFFAOYSA-N
XLogP3.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate
CID 7671181
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-phenoxybenzoate
CID 7760680
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 7203723
[2-(4-ethylphenyl)-2-oxoethyl] 2-(ethylamino)benzoate
CID 902764
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate
CID 7953621
[2-(4-methylphenyl)-2-oxoethyl] 2-acetamidobenzoate
CID 955166
[2-(4-ethoxyphenyl)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 8023897
[2-oxo-2-(4-phenylphenyl)ethyl] 2-ethoxybenzoate
CID 7758309
N-[2-[2-(4-ethoxyphenyl)-2-oxoethoxy]phenyl]acetamide
CID 2443275
[2-(4-acetamidophenyl)-2-oxoethyl] 2-ethoxybenzoate
CID 18075363
[2-(4-nonoxyphenyl)-2-oxoethyl] 2-[2-[2-(4-nonoxyphenyl)-2-oxoethoxy]carbonylphenyl]benzoate
CID 3104665
ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate
CID 108501758

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate?
The IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate (CID 7832261) is [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate.
What is the SMILES notation for [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate?
The canonical SMILES for [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate is CCOc1ccc(C(=O)COC(=O)c2ccccc2NC)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate?
The InChIKey is YVIXUQVVCPKPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-3-22-14-10-8-13(9-11-14)17(20)12-23-18(21)15-6-4-5-7-16(15)19-2/h4-11,19H,3,12H2,1-2H3.
What are the key properties of [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate?
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate has a molecular weight of 313.35 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate is sourced from PubChem (CID 7832261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).