2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid

C17H19NO3 — CID 39385265

IUPAC2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid
SMILESCCOc1cccc(CN(CC(=O)O)c2ccccc2)c1
InChIInChI=1S/C17H19NO3/c1-2-21-16-10-6-7-14(11-16)12-18(13-17(19)20)15-8-4-3-5-9-15/h3-11H,2,12-13H2,1H3,(H,19,20)
InChIKeyISEPCLHTOIKTTN-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.18
Rot. Bonds7

About 2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid

2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid (PubChem CID 39385265) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid
PubChem CID39385265
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid
SMILESCCOc1cccc(CN(CC(=O)O)c2ccccc2)c1
InChIInChI=1S/C17H19NO3/c1-2-21-16-10-6-7-14(11-16)12-18(13-17(19)20)15-8-4-3-5-9-15/h3-11H,2,12-13H2,1H3,(H,19,20)
InChIKeyISEPCLHTOIKTTN-UHFFFAOYSA-N
XLogP3.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethoxyphenyl)methyl-(2-phenylethyl)amino]acetic acid
CID 39453886
2-[4-chloro-N-[(3-methoxyphenyl)methyl]anilino]acetic acid
CID 39436802
2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone
CID 71497144
2-[N-[(3-carbamoylphenyl)methyl]anilino]acetic acid
CID 60838242
2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid
CID 39368218
N-benzyl-N-(3-ethoxyphenyl)hydroxylamine
CID 134890308
2-[N-[[3-(difluoromethyl)phenyl]methyl]anilino]acetic acid
CID 115529550
2-[methyl-[(3-propoxyphenyl)methyl]amino]acetic acid
CID 65056223
2-[N-[(3,4-dihydroxyphenyl)methyl]anilino]acetic acid
CID 65056826
2-[N-[(4-hydroxy-3,5-dimethylphenyl)methyl]anilino]acetic acid
CID 65059194
2-(N-benzylanilino)-N,N-diethylacetamide
CID 109005016
2-[[2-(3-ethylphenoxy)acetyl]-methylamino]acetic acid
CID 43092155

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid?
The IUPAC name of 2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid (CID 39385265) is 2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid?
The canonical SMILES for 2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid is CCOc1cccc(CN(CC(=O)O)c2ccccc2)c1.
What is the InChIKey of 2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid?
The InChIKey is ISEPCLHTOIKTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-21-16-10-6-7-14(11-16)12-18(13-17(19)20)15-8-4-3-5-9-15/h3-11H,2,12-13H2,1H3,(H,19,20).
What are the key properties of 2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid?
2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid is sourced from PubChem (CID 39385265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).