2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate

C20H23NO5 — CID 7807719

IUPAC2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCCOc1cccc(C)c1
InChIInChI=1S/C20H23NO5/c1-3-24-18-10-5-4-9-17(18)20(23)21-14-19(22)26-12-11-25-16-8-6-7-15(2)13-16/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,23)
InChIKeyJYDDBPSNHMXNMO-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.75
Rot. Bonds9

About 2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate

2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate (PubChem CID 7807719) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
PubChem CID7807719
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCCOc1cccc(C)c1
InChIInChI=1S/C20H23NO5/c1-3-24-18-10-5-4-9-17(18)20(23)21-14-19(22)26-12-11-25-16-8-6-7-15(2)13-16/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,23)
InChIKeyJYDDBPSNHMXNMO-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 16526656
2-(3-methylphenoxy)ethyl 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 42965613
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
2-(3-methylphenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8662514
ethyl 2-[2-(3-methylphenoxy)ethylcarbamoylamino]acetate
CID 47110276
2-(3-methylphenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899388
2-(3-methylphenoxy)ethyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880382
N-benzyl-2-[3-(3-methylphenoxy)propoxy]benzamide
CID 18282595
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 39797454
(2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807817
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807853
[2-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl] acetate
CID 86574466

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate?
The IUPAC name of 2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate (CID 7807719) is 2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for 2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate?
The canonical SMILES for 2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate is CCOc1ccccc1C(=O)NCC(=O)OCCOc1cccc(C)c1.
What is the InChIKey of 2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate?
The InChIKey is JYDDBPSNHMXNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-3-24-18-10-5-4-9-17(18)20(23)21-14-19(22)26-12-11-25-16-8-6-7-15(2)13-16/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,23).
What are the key properties of 2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate?
2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate has a molecular weight of 357.41 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7807719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).