[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate

C20H23NO5 — CID 2344906

IUPAC[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C20H23NO5/c1-3-25-18-7-5-4-6-17(18)20(23)26-14-19(22)21-13-12-15-8-10-16(24-2)11-9-15/h4-11H,3,12-14H2,1-2H3,(H,21,22)
InChIKeyHOEDQUWBLPDHCI-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.61
Rot. Bonds9

About [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate (PubChem CID 2344906) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
PubChem CID2344906
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C20H23NO5/c1-3-25-18-7-5-4-6-17(18)20(23)26-14-19(22)21-13-12-15-8-10-16(24-2)11-9-15/h4-11H,3,12-14H2,1-2H3,(H,21,22)
InChIKeyHOEDQUWBLPDHCI-UHFFFAOYSA-N
XLogP2.61
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Mersalyl Acid
CID 12358988
Mersalyl
CID 9806195
Tcmdc-123621
CID 2400619
4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethoxy]phenyl]-2-(2-methylpropoxy)benzoic acid
CID 24893966
2-ethoxy-N-{2-[(2-ethoxybenzoyl)amino]ethyl}benzamide
CID 1769368
4-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 2222949
2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 2225978
N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxybenzamide
CID 2252719
[3-[[2-(Carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury;hydrate
CID 443130
Acidissiminin
CID 6442730
Methyl 2-methoxy-5-{1-[4-methoxy-3-(methoxycarbonyl)-5-methylphenyl]-4-[(methoxycarbonyl)amino]but-1-en-1-yl}-3-methylbenzoate
CID 503142
Methyl 5-{4-[(ethoxycarbonyl)amino]-1-[4-methoxy-3-(methoxycarbonyl)-5-methylphenyl]but-1-en-1-yl}-2-methoxy-3-methylbenzoate
CID 503145

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate?
The IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate (CID 2344906) is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate.
What is the SMILES notation for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate?
The canonical SMILES for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate is CCOc1ccccc1C(=O)OCC(=O)NCCc1ccc(OC)cc1.
What is the InChIKey of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate?
The InChIKey is HOEDQUWBLPDHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-3-25-18-7-5-4-6-17(18)20(23)26-14-19(22)21-13-12-15-8-10-16(24-2)11-9-15/h4-11H,3,12-14H2,1-2H3,(H,21,22).
What are the key properties of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate?
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate has a molecular weight of 357.41 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate is sourced from PubChem (CID 2344906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).