2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate

C21H25NO5 — CID 7885053

IUPAC2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate
SMILESCCOc1ccc(OCCOC(=O)CNC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C21H25NO5/c1-4-25-18-7-9-19(10-8-18)26-11-12-27-20(23)14-22-21(24)17-6-5-15(2)16(3)13-17/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,24)
InChIKeyYYSANEQUHRBUPO-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.05
Rot. Bonds9

About 2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate

2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate (PubChem CID 7885053) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate
PubChem CID7885053
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate
SMILESCCOc1ccc(OCCOC(=O)CNC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C21H25NO5/c1-4-25-18-7-9-19(10-8-18)26-11-12-27-20(23)14-22-21(24)17-6-5-15(2)16(3)13-17/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,24)
InChIKeyYYSANEQUHRBUPO-UHFFFAOYSA-N
XLogP3.05
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.05
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-(4-ethoxyphenyl)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885033
2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27928826
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 27928920
2-(2,6-dichlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884828
2-(4-ethoxyphenoxy)ethyl 2-[(3-nitrobenzoyl)amino]acetate
CID 9269466
2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880664
ethyl 2-[(4-pentoxybenzoyl)amino]acetate
CID 4935106
[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884556
2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 3524412
2-(3-methylphenoxy)ethyl 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 42965613
N-[2-(3,4-dimethylphenoxy)ethyl]-4-ethoxy-3-methylbenzamide
CID 100560116

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate?
The IUPAC name of 2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate (CID 7885053) is 2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate.
What is the SMILES notation for 2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate?
The canonical SMILES for 2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate is CCOc1ccc(OCCOC(=O)CNC(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate?
The InChIKey is YYSANEQUHRBUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-4-25-18-7-9-19(10-8-18)26-11-12-27-20(23)14-22-21(24)17-6-5-15(2)16(3)13-17/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate?
2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate has a molecular weight of 371.43 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate is sourced from PubChem (CID 7885053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).