2-[acetyl(ethyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid

C14H19NO5 — CID 63701701

IUPAC2-[acetyl(ethyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid
SMILESCCOc1cc(C(C(=O)O)N(CC)C(C)=O)ccc1O
InChIInChI=1S/C14H19NO5/c1-4-15(9(3)16)13(14(18)19)10-6-7-11(17)12(8-10)20-5-2/h6-8,13,17H,4-5H2,1-3H3,(H,18,19)
InChIKeyRVFOKYKNJGPTGB-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.78
Rot. Bonds6

About 2-[acetyl(ethyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid

2-[acetyl(ethyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid (PubChem CID 63701701) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[acetyl(ethyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(ethyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid
PubChem CID63701701
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[acetyl(ethyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid
SMILESCCOc1cc(C(C(=O)O)N(CC)C(C)=O)ccc1O
InChIInChI=1S/C14H19NO5/c1-4-15(9(3)16)13(14(18)19)10-6-7-11(17)12(8-10)20-5-2/h6-8,13,17H,4-5H2,1-3H3,(H,18,19)
InChIKeyRVFOKYKNJGPTGB-UHFFFAOYSA-N
XLogP1.78
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(methyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid
CID 63704025
2-[(3-ethoxy-4-hydroxyphenyl)-hydroxymethyl]pentanoic acid
CID 83043577
2-[acetyl(ethyl)amino]-2-(3,5-dichlorophenyl)acetic acid
CID 63702733
N-[1-(3-ethoxy-4-hydroxyphenyl)-2-methylpropyl]acetamide
CID 58190079
2-[acetyl(ethyl)amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 63702713
2-[acetyl(ethyl)amino]-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 107104773
3-(3-ethoxy-4-hydroxyphenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid
CID 83954170
3-chloro-1-(3-ethoxy-4-hydroxyphenyl)propane-1,2-diol
CID 171863348
2-[acetyl(ethyl)amino]-2-(2-chlorophenyl)acetic acid
CID 63702725
4-[(1S)-1-amino-3-methylbut-3-enyl]-2-ethoxyphenol;hydrochloride
CID 171220395
2-(3-ethoxy-4-hydroxyphenyl)-2-hydroxyacetic acid;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate
CID 131740794
4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride
CID 171200829

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(ethyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid?
The IUPAC name of 2-[acetyl(ethyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid (CID 63701701) is 2-[acetyl(ethyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-[acetyl(ethyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-[acetyl(ethyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid is CCOc1cc(C(C(=O)O)N(CC)C(C)=O)ccc1O.
What is the InChIKey of 2-[acetyl(ethyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid?
The InChIKey is RVFOKYKNJGPTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-4-15(9(3)16)13(14(18)19)10-6-7-11(17)12(8-10)20-5-2/h6-8,13,17H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 2-[acetyl(ethyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid?
2-[acetyl(ethyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid has a molecular weight of 281.31 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(ethyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 63701701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).