2-[4-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid

C13H17NO4 — CID 43309389

IUPAC2-[4-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid
SMILESCCN(C)C(=O)COc1ccc(CC(=O)O)cc1
InChIInChI=1S/C13H17NO4/c1-3-14(2)12(15)9-18-11-6-4-10(5-7-11)8-13(16)17/h4-7H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyNYIGZXKSULVONR-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.17
Rot. Bonds6

About 2-[4-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid

2-[4-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid (PubChem CID 43309389) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[4-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid
PubChem CID43309389
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[4-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid
SMILESCCN(C)C(=O)COc1ccc(CC(=O)O)cc1
InChIInChI=1S/C13H17NO4/c1-3-14(2)12(15)9-18-11-6-4-10(5-7-11)8-13(16)17/h4-7H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyNYIGZXKSULVONR-UHFFFAOYSA-N
XLogP1.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 61398190
N-ethyl-N-methyl-2-(4-propanoylphenoxy)acetamide
CID 43243911
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503
N-ethyl-2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-methylacetamide
CID 43309750
N-(3-aminopropyl)-2-(4-ethylphenoxy)-N-methylacetamide
CID 43254054
3-[[2-(4-formylphenoxy)acetyl]-methylamino]propanoic acid
CID 82033015
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
2-(4-ethylphenoxy)-N-methylacetohydrazide
CID 116820497
N-ethyl-2-(3-hydroxyphenoxy)-N-methylacetamide
CID 43309833
methanol;3-[4-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethoxy]phenyl]propanoic acid
CID 142868295
N-ethyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide
CID 43309518
3-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]propanoic acid
CID 75405754

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid (CID 43309389) is 2-[4-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid is CCN(C)C(=O)COc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid?
The InChIKey is NYIGZXKSULVONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-14(2)12(15)9-18-11-6-4-10(5-7-11)8-13(16)17/h4-7H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid?
2-[4-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid has a molecular weight of 251.28 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid is sourced from PubChem (CID 43309389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).