2-[[1-[2-(2-methoxyphenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid

C24H25NO6 — CID 24769730

IUPAC2-[[1-[2-(2-methoxyphenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
SMILESCOc1ccccc1OCCOc1c(C(=O)NC(C)(C)C(=O)O)ccc2ccccc12
InChIInChI=1S/C24H25NO6/c1-24(2,23(27)28)25-22(26)18-13-12-16-8-4-5-9-17(16)21(18)31-15-14-30-20-11-7-6-10-19(20)29-3/h4-13H,14-15H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyAZNAWNZVEUYXSX-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.90
Rot. Bonds9

About 2-[[1-[2-(2-methoxyphenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid

2-[[1-[2-(2-methoxyphenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 24769730) has the molecular formula C24H25NO6 and a molecular weight of 423.47 g/mol. Its IUPAC name is 2-[[1-[2-(2-methoxyphenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-[2-(2-methoxyphenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
PubChem CID24769730
Molecular FormulaC24H25NO6
Molecular Weight423.47 g/mol
Exact Mass423.17
IUPAC Name2-[[1-[2-(2-methoxyphenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
SMILESCOc1ccccc1OCCOc1c(C(=O)NC(C)(C)C(=O)O)ccc2ccccc12
InChIInChI=1S/C24H25NO6/c1-24(2,23(27)28)25-22(26)18-13-12-16-8-4-5-9-17(16)21(18)31-15-14-30-20-11-7-6-10-19(20)29-3/h4-13H,14-15H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyAZNAWNZVEUYXSX-UHFFFAOYSA-N
XLogP3.90
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-[[1-[2-(2-methylphenoxy)ethoxy]naphthalene-2-carbonyl]amino]propanoic acid
CID 90763374
2-methyl-2-[[1-(2-naphthalen-2-yloxyethoxy)naphthalene-2-carbonyl]amino]propanoic acid
CID 24768906
2-[[1-[2-(2-chloro-4-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 24769727
2-[[1-[2-(3-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 24769729
2-[[1-[3-(4-chlorophenyl)propoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 24769440
2-methyl-2-[[1-[(4-methylphenyl)methoxy]naphthalene-2-carbonyl]amino]propanoic acid
CID 11675248
2-methyl-2-[[1-[(4-methylsulfanylphenyl)methoxy]naphthalene-2-carbonyl]amino]propanoic acid
CID 23132856
2-[[1-[difluoro-(4-methoxyphenyl)methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 174546174
2-[[1-(1-benzothiophen-3-ylmethoxy)naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 11495437
2-methyl-2-[[1-[(2R)-1-phenoxypropan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid
CID 24769568
2-[[1-[[2,3-difluoro-4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 23132855
2-[[1-[2-(6-chloro-1,3-benzoxazol-2-yl)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 11597643

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(2-methoxyphenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-[2-(2-methoxyphenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid (CID 24769730) is 2-[[1-[2-(2-methoxyphenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-[2-(2-methoxyphenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-[2-(2-methoxyphenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid is COc1ccccc1OCCOc1c(C(=O)NC(C)(C)C(=O)O)ccc2ccccc12.
What is the InChIKey of 2-[[1-[2-(2-methoxyphenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is AZNAWNZVEUYXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO6/c1-24(2,23(27)28)25-22(26)18-13-12-16-8-4-5-9-17(16)21(18)31-15-14-30-20-11-7-6-10-19(20)29-3/h4-13H,14-15H2,1-3H3,(H,25,26)(H,27,28).
What are the key properties of 2-[[1-[2-(2-methoxyphenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid?
2-[[1-[2-(2-methoxyphenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 423.47 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(2-methoxyphenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 24769730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).