2-(N-ethyl-2-phenoxyanilino)acetic acid

C16H17NO3 — CID 100522605

IUPAC2-(N-ethyl-2-phenoxyanilino)acetic acid
SMILESCCN(CC(=O)O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C16H17NO3/c1-2-17(12-16(18)19)14-10-6-7-11-15(14)20-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,18,19)
InChIKeyIRUIXKBTIYOXAQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.39
Rot. Bonds6

About 2-(N-ethyl-2-phenoxyanilino)acetic acid

2-(N-ethyl-2-phenoxyanilino)acetic acid (PubChem CID 100522605) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(N-ethyl-2-phenoxyanilino)acetic acid.

Molecular Properties

Compound Name2-(N-ethyl-2-phenoxyanilino)acetic acid
PubChem CID100522605
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(N-ethyl-2-phenoxyanilino)acetic acid
SMILESCCN(CC(=O)O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C16H17NO3/c1-2-17(12-16(18)19)14-10-6-7-11-15(14)20-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,18,19)
InChIKeyIRUIXKBTIYOXAQ-UHFFFAOYSA-N
XLogP3.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 131879696
CID 131879696
N,N-dioctyl-2-phenoxyaniline
CID 139723274
2-phenoxy-N,N-di(tridecyl)aniline
CID 139723702
N,N-dioctadecyl-2-phenoxyaniline
CID 139724057
2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane
CID 90830010
2-(N-acetyl-2-phenoxyanilino)-N-phenylacetamide
CID 113179233
N-methyl-N-(2-phenoxyphenyl)pentanamide
CID 60606428
2-(3-ethoxy-N-ethyl-2-nitroanilino)acetic acid
CID 113392862
N-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30255339
2-(N-acetyl-2-phenoxyanilino)-N-tert-butylacetamide
CID 113179224
N,N-diethyl-3-(N-methylsulfonyl-2-phenoxyanilino)propanamide
CID 113146440
(2R)-2-(2-phenoxy-N-propylanilino)butanoic acid
CID 125045010

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-2-phenoxyanilino)acetic acid?
The IUPAC name of 2-(N-ethyl-2-phenoxyanilino)acetic acid (CID 100522605) is 2-(N-ethyl-2-phenoxyanilino)acetic acid.
What is the SMILES notation for 2-(N-ethyl-2-phenoxyanilino)acetic acid?
The canonical SMILES for 2-(N-ethyl-2-phenoxyanilino)acetic acid is CCN(CC(=O)O)c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(N-ethyl-2-phenoxyanilino)acetic acid?
The InChIKey is IRUIXKBTIYOXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-17(12-16(18)19)14-10-6-7-11-15(14)20-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,18,19).
What are the key properties of 2-(N-ethyl-2-phenoxyanilino)acetic acid?
2-(N-ethyl-2-phenoxyanilino)acetic acid has a molecular weight of 271.32 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-2-phenoxyanilino)acetic acid is sourced from PubChem (CID 100522605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).