2-(3-ethoxyanilino)-2-phenylacetic acid

C16H17NO3 — CID 103245685

IUPAC2-(3-ethoxyanilino)-2-phenylacetic acid
SMILESCCOc1cccc(NC(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C16H17NO3/c1-2-20-14-10-6-9-13(11-14)17-15(16(18)19)12-7-4-3-5-8-12/h3-11,15,17H,2H2,1H3,(H,18,19)
InChIKeyKWXCCVUQWNZSFJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.32
Rot. Bonds6

About 2-(3-ethoxyanilino)-2-phenylacetic acid

2-(3-ethoxyanilino)-2-phenylacetic acid (PubChem CID 103245685) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(3-ethoxyanilino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(3-ethoxyanilino)-2-phenylacetic acid
PubChem CID103245685
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(3-ethoxyanilino)-2-phenylacetic acid
SMILESCCOc1cccc(NC(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C16H17NO3/c1-2-20-14-10-6-9-13(11-14)17-15(16(18)19)12-7-4-3-5-8-12/h3-11,15,17H,2H2,1H3,(H,18,19)
InChIKeyKWXCCVUQWNZSFJ-UHFFFAOYSA-N
XLogP3.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid
CID 108801730
2-phenyl-2-(3-propan-2-ylanilino)acetic acid
CID 21063795
(2S)-2-phenyl-2-[3-(quinolin-2-ylmethoxy)anilino]acetic acid
CID 57268488
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
2-(3-bromoanilino)-2-(2-ethoxyphenyl)acetic acid
CID 60992710
2-(3-ethoxyphenoxy)-2-phenylacetic acid
CID 62338438
2-[3-chloro-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]anilino]-2-(3-ethoxyphenyl)acetic acid
CID 58789233
(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
CID 7046833
2-[1-(3-ethoxyanilino)ethyl]phenol
CID 54865033
(2R)-2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 78972422
2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 54967557
3-(3-ethoxyanilino)-3-oxopropanoic acid
CID 62231404

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyanilino)-2-phenylacetic acid?
The IUPAC name of 2-(3-ethoxyanilino)-2-phenylacetic acid (CID 103245685) is 2-(3-ethoxyanilino)-2-phenylacetic acid.
What is the SMILES notation for 2-(3-ethoxyanilino)-2-phenylacetic acid?
The canonical SMILES for 2-(3-ethoxyanilino)-2-phenylacetic acid is CCOc1cccc(NC(C(=O)O)c2ccccc2)c1.
What is the InChIKey of 2-(3-ethoxyanilino)-2-phenylacetic acid?
The InChIKey is KWXCCVUQWNZSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-20-14-10-6-9-13(11-14)17-15(16(18)19)12-7-4-3-5-8-12/h3-11,15,17H,2H2,1H3,(H,18,19).
What are the key properties of 2-(3-ethoxyanilino)-2-phenylacetic acid?
2-(3-ethoxyanilino)-2-phenylacetic acid has a molecular weight of 271.32 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyanilino)-2-phenylacetic acid is sourced from PubChem (CID 103245685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).