2-[4-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-3-methylphenoxy]acetic acid

C20H22N2O6 — CID 120524790

IUPAC2-[4-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-3-methylphenoxy]acetic acid
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2ccc(OCC(=O)O)cc2C)cc1
InChIInChI=1S/C20H22N2O6/c1-3-27-15-6-4-14(5-7-15)20(26)21-11-18(23)22-17-9-8-16(10-13(17)2)28-12-19(24)25/h4-10H,3,11-12H2,1-2H3,(H,21,26)(H,22,23)(H,24,25)
InChIKeyOZPULWNPYHMUDJ-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.23
Rot. Bonds9

About 2-[4-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-3-methylphenoxy]acetic acid

2-[4-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-3-methylphenoxy]acetic acid (PubChem CID 120524790) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-[4-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-3-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-3-methylphenoxy]acetic acid
PubChem CID120524790
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name2-[4-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-3-methylphenoxy]acetic acid
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2ccc(OCC(=O)O)cc2C)cc1
InChIInChI=1S/C20H22N2O6/c1-3-27-15-6-4-14(5-7-15)20(26)21-11-18(23)22-17-9-8-16(10-13(17)2)28-12-19(24)25/h4-10H,3,11-12H2,1-2H3,(H,21,26)(H,22,23)(H,24,25)
InChIKeyOZPULWNPYHMUDJ-UHFFFAOYSA-N
XLogP2.23
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(butanoylamino)-3-methylphenoxy]acetic acid
CID 119231512
4-ethoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47038574
N-[2-(5-acetamido-2-methylanilino)-2-oxoethyl]-4-ethoxybenzamide
CID 46463640
2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 17342102
2-[4-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylphenoxy]acetic acid
CID 119231553
4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide
CID 47267913
2-[3-methyl-4-(3-methylbutanoylamino)phenoxy]acetic acid
CID 119231825
[4-[(4-ethoxybenzoyl)amino]-3-methylphenyl] 4-ethoxybenzoate
CID 1234586
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 46755786
4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 1350175
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 7676792
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 17349908

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-3-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-3-methylphenoxy]acetic acid (CID 120524790) is 2-[4-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-3-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-3-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-3-methylphenoxy]acetic acid is CCOc1ccc(C(=O)NCC(=O)Nc2ccc(OCC(=O)O)cc2C)cc1.
What is the InChIKey of 2-[4-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-3-methylphenoxy]acetic acid?
The InChIKey is OZPULWNPYHMUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-3-27-15-6-4-14(5-7-15)20(26)21-11-18(23)22-17-9-8-16(10-13(17)2)28-12-19(24)25/h4-10H,3,11-12H2,1-2H3,(H,21,26)(H,22,23)(H,24,25).
What are the key properties of 2-[4-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-3-methylphenoxy]acetic acid?
2-[4-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-3-methylphenoxy]acetic acid has a molecular weight of 386.40 g/mol, XLogP of 2.23, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-3-methylphenoxy]acetic acid is sourced from PubChem (CID 120524790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).