4-[2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]ethyl]benzoic acid

C21H24N2O4 — CID 120512997

IUPAC4-[2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]ethyl]benzoic acid
SMILESCC(=O)N(CCc1ccccc1)CC(=O)NCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C21H24N2O4/c1-16(24)23(14-12-17-5-3-2-4-6-17)15-20(25)22-13-11-18-7-9-19(10-8-18)21(26)27/h2-10H,11-15H2,1H3,(H,22,25)(H,26,27)
InChIKeyBTTDAQCFHGJTHR-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.13
Rot. Bonds9

About 4-[2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]ethyl]benzoic acid

4-[2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]ethyl]benzoic acid (PubChem CID 120512997) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-[2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]ethyl]benzoic acid
PubChem CID120512997
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-[2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]ethyl]benzoic acid
SMILESCC(=O)N(CCc1ccccc1)CC(=O)NCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C21H24N2O4/c1-16(24)23(14-12-17-5-3-2-4-6-17)15-20(25)22-13-11-18-7-9-19(10-8-18)21(26)27/h2-10H,11-15H2,1H3,(H,22,25)(H,26,27)
InChIKeyBTTDAQCFHGJTHR-UHFFFAOYSA-N
XLogP2.13
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]ethyl]benzoic acid with MolForge

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Related Compounds

5-[[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 120527270
4-[2-[[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]ethyl]benzoic acid
CID 174478918
2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113165811
N-(4-acetamidophenyl)-2-[acetyl(2-phenylethyl)amino]acetamide
CID 113164087
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-4-[4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 10629682
2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113165813
3-[acetyl(2-phenylethyl)amino]-N-propylpropanamide
CID 113120727
2-[acetyl(butyl)amino]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113158667
2-[acetyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113163958
4-[2-[3-(2-methylphenyl)propanoylamino]ethyl]benzoic acid
CID 119168685
1,1,3-tris(2-phenylethyl)urea
CID 123287811
4-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]benzoic acid
CID 119181956

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]ethyl]benzoic acid (CID 120512997) is 4-[2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]ethyl]benzoic acid is CC(=O)N(CCc1ccccc1)CC(=O)NCCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]ethyl]benzoic acid?
The InChIKey is BTTDAQCFHGJTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-16(24)23(14-12-17-5-3-2-4-6-17)15-20(25)22-13-11-18-7-9-19(10-8-18)21(26)27/h2-10H,11-15H2,1H3,(H,22,25)(H,26,27).
What are the key properties of 4-[2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]ethyl]benzoic acid?
4-[2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]ethyl]benzoic acid has a molecular weight of 368.43 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]ethyl]benzoic acid is sourced from PubChem (CID 120512997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).