2-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid

C20H24N2O5 — CID 66528287

IUPAC2-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid
SMILESCCOc1cc(CNCC(=O)O)ccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H24N2O5/c1-3-26-18-10-15(11-21-12-20(24)25)6-9-17(18)27-13-19(23)22-16-7-4-14(2)5-8-16/h4-10,21H,3,11-13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyWJPGCGVXFZPKDE-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.59
Rot. Bonds10

About 2-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid

2-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid (PubChem CID 66528287) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid
PubChem CID66528287
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name2-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid
SMILESCCOc1cc(CNCC(=O)O)ccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H24N2O5/c1-3-26-18-10-15(11-21-12-20(24)25)6-9-17(18)27-13-19(23)22-16-7-4-14(2)5-8-16/h4-10,21H,3,11-13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyWJPGCGVXFZPKDE-UHFFFAOYSA-N
XLogP2.59
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid
CID 66527897
2-[2-ethoxy-4-(methylaminomethyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 19589313
2-[4-[(4-acetamidoanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539076
2-[4-[[[(2S)-butan-2-yl]amino]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 51993011
2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 2986953
2-[4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539468
2-[2-ethoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539158
2-[2-ethoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539460
4-chloro-3-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]benzoic acid
CID 66539562
2-[5-chloro-2-ethoxy-4-[[(4-methylphenyl)methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66532030
2-[4-[(4-ethoxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 5187381
2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide
CID 30610439

Frequently Asked Questions

What is the IUPAC name of 2-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid?
The IUPAC name of 2-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid (CID 66528287) is 2-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid.
What is the SMILES notation for 2-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid?
The canonical SMILES for 2-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid is CCOc1cc(CNCC(=O)O)ccc1OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid?
The InChIKey is WJPGCGVXFZPKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-3-26-18-10-15(11-21-12-20(24)25)6-9-17(18)27-13-19(23)22-16-7-4-14(2)5-8-16/h4-10,21H,3,11-13H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 2-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid?
2-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid has a molecular weight of 372.42 g/mol, XLogP of 2.59, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid is sourced from PubChem (CID 66528287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).