2-[[1-[2-(3-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid

C23H22FNO5 — CID 24769729

IUPAC2-[[1-[2-(3-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1ccc2ccccc2c1OCCOc1cccc(F)c1)C(=O)O
InChIInChI=1S/C23H22FNO5/c1-23(2,22(27)28)25-21(26)19-11-10-15-6-3-4-9-18(15)20(19)30-13-12-29-17-8-5-7-16(24)14-17/h3-11,14H,12-13H2,1-2H3,(H,25,26)(H,27,28)
InChIKeySKVJZNMBIWMNFF-UHFFFAOYSA-N
MW411.43 g/mol
LogP4.03
Rot. Bonds8

About 2-[[1-[2-(3-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid

2-[[1-[2-(3-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 24769729) has the molecular formula C23H22FNO5 and a molecular weight of 411.43 g/mol. Its IUPAC name is 2-[[1-[2-(3-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-[2-(3-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
PubChem CID24769729
Molecular FormulaC23H22FNO5
Molecular Weight411.43 g/mol
Exact Mass411.15
IUPAC Name2-[[1-[2-(3-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1ccc2ccccc2c1OCCOc1cccc(F)c1)C(=O)O
InChIInChI=1S/C23H22FNO5/c1-23(2,22(27)28)25-21(26)19-11-10-15-6-3-4-9-18(15)20(19)30-13-12-29-17-8-5-7-16(24)14-17/h3-11,14H,12-13H2,1-2H3,(H,25,26)(H,27,28)
InChIKeySKVJZNMBIWMNFF-UHFFFAOYSA-N
XLogP4.03
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-methyl-2-[[1-[2-(2-methylphenoxy)ethoxy]naphthalene-2-carbonyl]amino]propanoic acid
CID 90763374
2-[[1-[2-(2-methoxyphenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 24769730
2-[[1-[3-(4-chlorophenyl)propoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 24769440
2-methyl-2-[[1-[(2R)-1-phenoxypropan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid
CID 24769568
2-methyl-2-[[1-[(4-methylphenyl)methoxy]naphthalene-2-carbonyl]amino]propanoic acid
CID 11675248
2-[[1-[[2,3-difluoro-4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 23132855
2-ethyl-2-[[1-[2-(3-fluorophenyl)ethoxy]naphthalene-2-carbonyl]amino]hexanoic acid
CID 91446431
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
5-(3-fluorophenoxy)-2,2-dimethylpentanoic acid
CID 65255314

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(3-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-[2-(3-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid (CID 24769729) is 2-[[1-[2-(3-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-[2-(3-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-[2-(3-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid is CC(C)(NC(=O)c1ccc2ccccc2c1OCCOc1cccc(F)c1)C(=O)O.
What is the InChIKey of 2-[[1-[2-(3-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is SKVJZNMBIWMNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO5/c1-23(2,22(27)28)25-21(26)19-11-10-15-6-3-4-9-18(15)20(19)30-13-12-29-17-8-5-7-16(24)14-17/h3-11,14H,12-13H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 2-[[1-[2-(3-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid?
2-[[1-[2-(3-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 411.43 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(3-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 24769729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).