2-methyl-2-[[1-[2-(2-methylphenoxy)ethoxy]naphthalene-2-carbonyl]amino]propanoic acid

C24H25NO5 — CID 90763374

IUPAC2-methyl-2-[[1-[2-(2-methylphenoxy)ethoxy]naphthalene-2-carbonyl]amino]propanoic acid
SMILESCc1ccccc1OCCOc1c(C(=O)NC(C)(C)C(=O)O)ccc2ccccc12
InChIInChI=1S/C24H25NO5/c1-16-8-4-7-11-20(16)29-14-15-30-21-18-10-6-5-9-17(18)12-13-19(21)22(26)25-24(2,3)23(27)28/h4-13H,14-15H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyOMAPHTBMUNSMET-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.20
Rot. Bonds8

About 2-methyl-2-[[1-[2-(2-methylphenoxy)ethoxy]naphthalene-2-carbonyl]amino]propanoic acid

2-methyl-2-[[1-[2-(2-methylphenoxy)ethoxy]naphthalene-2-carbonyl]amino]propanoic acid (PubChem CID 90763374) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-methyl-2-[[1-[2-(2-methylphenoxy)ethoxy]naphthalene-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[1-[2-(2-methylphenoxy)ethoxy]naphthalene-2-carbonyl]amino]propanoic acid
PubChem CID90763374
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name2-methyl-2-[[1-[2-(2-methylphenoxy)ethoxy]naphthalene-2-carbonyl]amino]propanoic acid
SMILESCc1ccccc1OCCOc1c(C(=O)NC(C)(C)C(=O)O)ccc2ccccc12
InChIInChI=1S/C24H25NO5/c1-16-8-4-7-11-20(16)29-14-15-30-21-18-10-6-5-9-17(18)12-13-19(21)22(26)25-24(2,3)23(27)28/h4-13H,14-15H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyOMAPHTBMUNSMET-UHFFFAOYSA-N
XLogP4.20
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.20
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-[[1-[2-(2-methoxyphenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 24769730
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-methyl-2-[[1-[(4-methylphenyl)methoxy]naphthalene-2-carbonyl]amino]propanoic acid
CID 11675248
2-[[1-[3-(4-chlorophenyl)propoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 24769440
2-methyl-2-[[1-[(4-methylsulfanylphenyl)methoxy]naphthalene-2-carbonyl]amino]propanoic acid
CID 23132856
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-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carboxylic acid
CID 22685904
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-methyl-2-[[1-[2-(2-methylphenoxy)ethoxy]naphthalene-2-carbonyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[1-[2-(2-methylphenoxy)ethoxy]naphthalene-2-carbonyl]amino]propanoic acid (CID 90763374) is 2-methyl-2-[[1-[2-(2-methylphenoxy)ethoxy]naphthalene-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[1-[2-(2-methylphenoxy)ethoxy]naphthalene-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[1-[2-(2-methylphenoxy)ethoxy]naphthalene-2-carbonyl]amino]propanoic acid is Cc1ccccc1OCCOc1c(C(=O)NC(C)(C)C(=O)O)ccc2ccccc12.
What is the InChIKey of 2-methyl-2-[[1-[2-(2-methylphenoxy)ethoxy]naphthalene-2-carbonyl]amino]propanoic acid?
The InChIKey is OMAPHTBMUNSMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-16-8-4-7-11-20(16)29-14-15-30-21-18-10-6-5-9-17(18)12-13-19(21)22(26)25-24(2,3)23(27)28/h4-13H,14-15H2,1-3H3,(H,25,26)(H,27,28).
What are the key properties of 2-methyl-2-[[1-[2-(2-methylphenoxy)ethoxy]naphthalene-2-carbonyl]amino]propanoic acid?
2-methyl-2-[[1-[2-(2-methylphenoxy)ethoxy]naphthalene-2-carbonyl]amino]propanoic acid has a molecular weight of 407.47 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[1-[2-(2-methylphenoxy)ethoxy]naphthalene-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 90763374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).