2-[N-acetyl-3-[(4-phenylphenoxy)methyl]anilino]acetic acid

C23H21NO4 — CID 58287793

IUPAC2-[N-acetyl-3-[(4-phenylphenoxy)methyl]anilino]acetic acid
SMILESCC(=O)N(CC(=O)O)c1cccc(COc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H21NO4/c1-17(25)24(15-23(26)27)21-9-5-6-18(14-21)16-28-22-12-10-20(11-13-22)19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,26,27)
InChIKeySLBFZFRUGRGAJQ-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.37
Rot. Bonds7

About 2-[N-acetyl-3-[(4-phenylphenoxy)methyl]anilino]acetic acid

2-[N-acetyl-3-[(4-phenylphenoxy)methyl]anilino]acetic acid (PubChem CID 58287793) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 2-[N-acetyl-3-[(4-phenylphenoxy)methyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-acetyl-3-[(4-phenylphenoxy)methyl]anilino]acetic acid
PubChem CID58287793
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name2-[N-acetyl-3-[(4-phenylphenoxy)methyl]anilino]acetic acid
SMILESCC(=O)N(CC(=O)O)c1cccc(COc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H21NO4/c1-17(25)24(15-23(26)27)21-9-5-6-18(14-21)16-28-22-12-10-20(11-13-22)19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,26,27)
InChIKeySLBFZFRUGRGAJQ-UHFFFAOYSA-N
XLogP4.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-3-methylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 113167614
3-[(4-phenylphenoxy)methyl]benzoic acid
CID 18707489
2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid
CID 67146724
2-(4-phenylmethoxy-N-[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]anilino)acetic acid
CID 66912772
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
N,N-diethyl-3-(phenoxymethyl)aniline
CID 54126573
2-(N-acetyl-4-phenylmethoxyanilino)-N-pentylacetamide
CID 113177543
2-(N-acetyl-4-phenylmethoxyanilino)-N-cyclohexylacetamide
CID 113177523
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
ethyl (2R)-2-amino-3-[3-(4-phenylmethoxyphenyl)phenyl]propanoate
CID 154815424
3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid
CID 51349860
N-[2-[N-methyl-3-[(3-phenylphenyl)methoxy]anilino]ethyl]acetamide
CID 71481495

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-3-[(4-phenylphenoxy)methyl]anilino]acetic acid?
The IUPAC name of 2-[N-acetyl-3-[(4-phenylphenoxy)methyl]anilino]acetic acid (CID 58287793) is 2-[N-acetyl-3-[(4-phenylphenoxy)methyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-acetyl-3-[(4-phenylphenoxy)methyl]anilino]acetic acid?
The canonical SMILES for 2-[N-acetyl-3-[(4-phenylphenoxy)methyl]anilino]acetic acid is CC(=O)N(CC(=O)O)c1cccc(COc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 2-[N-acetyl-3-[(4-phenylphenoxy)methyl]anilino]acetic acid?
The InChIKey is SLBFZFRUGRGAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-17(25)24(15-23(26)27)21-9-5-6-18(14-21)16-28-22-12-10-20(11-13-22)19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,26,27).
What are the key properties of 2-[N-acetyl-3-[(4-phenylphenoxy)methyl]anilino]acetic acid?
2-[N-acetyl-3-[(4-phenylphenoxy)methyl]anilino]acetic acid has a molecular weight of 375.42 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-3-[(4-phenylphenoxy)methyl]anilino]acetic acid is sourced from PubChem (CID 58287793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).