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

C19H22N2O5 — CID 66527897

IUPAC2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid
SMILESCOc1cc(CNCC(=O)O)ccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H22N2O5/c1-13-3-6-15(7-4-13)21-18(22)12-26-16-8-5-14(9-17(16)25-2)10-20-11-19(23)24/h3-9,20H,10-12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyNRYRGSSPWVAORS-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.20
Rot. Bonds9

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

2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid (PubChem CID 66527897) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid
PubChem CID66527897
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid
SMILESCOc1cc(CNCC(=O)O)ccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H22N2O5/c1-13-3-6-15(7-4-13)21-18(22)12-26-16-8-5-14(9-17(16)25-2)10-20-11-19(23)24/h3-9,20H,10-12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyNRYRGSSPWVAORS-UHFFFAOYSA-N
XLogP2.20
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid
CID 66528287
2-[2-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 17210725
2-[2-methoxy-4-[(pentylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 17213470
2-[4-[(4-hydroxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66525784
2-[4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 17213536
2-[2-methoxy-4-[(thiophen-2-ylmethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 17213460
2-[2-methoxy-4-[(thiophen-2-ylmethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide;hydrochloride
CID 17213459
2-[4-[[3-(diethylamino)propylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 17215371
2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 17213450
2-[4-[(4-ethoxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 5187381
2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]-4-methylpentanoic acid
CID 66527914
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 2982194

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid?
The IUPAC name of 2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid (CID 66527897) is 2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid.
What is the SMILES notation for 2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid?
The canonical SMILES for 2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid is COc1cc(CNCC(=O)O)ccc1OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid?
The InChIKey is NRYRGSSPWVAORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-13-3-6-15(7-4-13)21-18(22)12-26-16-8-5-14(9-17(16)25-2)10-20-11-19(23)24/h3-9,20H,10-12H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid?
2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid has a molecular weight of 358.39 g/mol, XLogP of 2.20, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid is sourced from PubChem (CID 66527897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).