2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid

C24H24N2O4 — CID 122146595

IUPAC2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid
SMILESCC(=O)Nc1ccc(CC(=O)NCC(Cc2ccc3ccccc3c2)C(=O)O)cc1
InChIInChI=1S/C24H24N2O4/c1-16(27)26-22-10-7-17(8-11-22)14-23(28)25-15-21(24(29)30)13-18-6-9-19-4-2-3-5-20(19)12-18/h2-12,21H,13-15H2,1H3,(H,25,28)(H,26,27)(H,29,30)
InChIKeyKOBMNONZTZVWDS-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.40
Rot. Bonds8

About 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid

2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid (PubChem CID 122146595) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid.

Molecular Properties

Compound Name2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid
PubChem CID122146595
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid
SMILESCC(=O)Nc1ccc(CC(=O)NCC(Cc2ccc3ccccc3c2)C(=O)O)cc1
InChIInChI=1S/C24H24N2O4/c1-16(27)26-22-10-7-17(8-11-22)14-23(28)25-15-21(24(29)30)13-18-6-9-19-4-2-3-5-20(19)12-18/h2-12,21H,13-15H2,1H3,(H,25,28)(H,26,27)(H,29,30)
InChIKeyKOBMNONZTZVWDS-UHFFFAOYSA-N
XLogP3.40
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-naphthalen-2-ylacetamide
CID 26499620
2-(naphthalen-2-ylmethyl)-3-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]propanoic acid
CID 155950289
2-[(2,4-dimethylpent-4-enoylamino)methyl]-3-naphthalen-2-ylpropanoic acid
CID 120687756
2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid
CID 119234039
N-[(2R)-2-hydroxypropyl]-2-naphthalen-2-ylacetamide
CID 83032079
2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 120687757
2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 119245465
2-(naphthalen-2-ylmethyl)butanoic acid
CID 77427365
(2R)-2-[(furan-3-carbonylamino)methyl]-3-naphthalen-2-ylpropanoic acid
CID 97324644
2-[[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 119245404
2-(naphthalen-2-ylmethyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid
CID 119245416
2-[[(2-acetamido-2-cyclopentylacetyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 119245450

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid?
The IUPAC name of 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid (CID 122146595) is 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid.
What is the SMILES notation for 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid?
The canonical SMILES for 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid is CC(=O)Nc1ccc(CC(=O)NCC(Cc2ccc3ccccc3c2)C(=O)O)cc1.
What is the InChIKey of 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid?
The InChIKey is KOBMNONZTZVWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-16(27)26-22-10-7-17(8-11-22)14-23(28)25-15-21(24(29)30)13-18-6-9-19-4-2-3-5-20(19)12-18/h2-12,21H,13-15H2,1H3,(H,25,28)(H,26,27)(H,29,30).
What are the key properties of 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid?
2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid has a molecular weight of 404.47 g/mol, XLogP of 3.40, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid is sourced from PubChem (CID 122146595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).