3-[2-[3-[methyl-(2-phenylacetyl)amino]phenyl]ethyl]benzoic acid

C24H23NO3 — CID 57069223

IUPAC3-[2-[3-[methyl-(2-phenylacetyl)amino]phenyl]ethyl]benzoic acid
SMILESCN(C(=O)Cc1ccccc1)c1cccc(CCc2cccc(C(=O)O)c2)c1
InChIInChI=1S/C24H23NO3/c1-25(23(26)17-18-7-3-2-4-8-18)22-12-6-10-20(16-22)14-13-19-9-5-11-21(15-19)24(27)28/h2-12,15-16H,13-14,17H2,1H3,(H,27,28)
InChIKeyMQWNZGFATISMKF-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.38
Rot. Bonds7

About 3-[2-[3-[methyl-(2-phenylacetyl)amino]phenyl]ethyl]benzoic acid

3-[2-[3-[methyl-(2-phenylacetyl)amino]phenyl]ethyl]benzoic acid (PubChem CID 57069223) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-[2-[3-[methyl-(2-phenylacetyl)amino]phenyl]ethyl]benzoic acid.

Molecular Properties

Compound Name3-[2-[3-[methyl-(2-phenylacetyl)amino]phenyl]ethyl]benzoic acid
PubChem CID57069223
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name3-[2-[3-[methyl-(2-phenylacetyl)amino]phenyl]ethyl]benzoic acid
SMILESCN(C(=O)Cc1ccccc1)c1cccc(CCc2cccc(C(=O)O)c2)c1
InChIInChI=1S/C24H23NO3/c1-25(23(26)17-18-7-3-2-4-8-18)22-12-6-10-20(16-22)14-13-19-9-5-11-21(15-19)24(27)28/h2-12,15-16H,13-14,17H2,1H3,(H,27,28)
InChIKeyMQWNZGFATISMKF-UHFFFAOYSA-N
XLogP4.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-carboxyphenyl)ethyl]benzoic acid
CID 22404884
2-(3-bromophenyl)-N-methyl-N-phenylacetamide
CID 22341541
4-[methyl-[2-(3-methylphenyl)acetyl]amino]benzoic acid
CID 104698086
N-[4-(aminomethyl)phenyl]-N-methyl-2-phenylacetamide
CID 28755638
N-(3-ethylphenyl)-N-methylbenzamide
CID 90124245
3-[2-[acetyl(methyl)amino]ethyl]benzoic acid
CID 167729941
3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 65486667
N-[3-[2-(N,3-dimethylanilino)-2-oxoethyl]phenyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 57214135
3-[2-[acetyl(dimethylamino)amino]ethyl]benzoic acid
CID 174465820
3-(2-methylsulfanylethyl)benzoic acid
CID 115020753
2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid
CID 115923550
3-[3-[acetyl(methyl)amino]phenyl]propanoic acid
CID 28760016

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[methyl-(2-phenylacetyl)amino]phenyl]ethyl]benzoic acid?
The IUPAC name of 3-[2-[3-[methyl-(2-phenylacetyl)amino]phenyl]ethyl]benzoic acid (CID 57069223) is 3-[2-[3-[methyl-(2-phenylacetyl)amino]phenyl]ethyl]benzoic acid.
What is the SMILES notation for 3-[2-[3-[methyl-(2-phenylacetyl)amino]phenyl]ethyl]benzoic acid?
The canonical SMILES for 3-[2-[3-[methyl-(2-phenylacetyl)amino]phenyl]ethyl]benzoic acid is CN(C(=O)Cc1ccccc1)c1cccc(CCc2cccc(C(=O)O)c2)c1.
What is the InChIKey of 3-[2-[3-[methyl-(2-phenylacetyl)amino]phenyl]ethyl]benzoic acid?
The InChIKey is MQWNZGFATISMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-25(23(26)17-18-7-3-2-4-8-18)22-12-6-10-20(16-22)14-13-19-9-5-11-21(15-19)24(27)28/h2-12,15-16H,13-14,17H2,1H3,(H,27,28).
What are the key properties of 3-[2-[3-[methyl-(2-phenylacetyl)amino]phenyl]ethyl]benzoic acid?
3-[2-[3-[methyl-(2-phenylacetyl)amino]phenyl]ethyl]benzoic acid has a molecular weight of 373.45 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[methyl-(2-phenylacetyl)amino]phenyl]ethyl]benzoic acid is sourced from PubChem (CID 57069223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).