2-methyl-2-[[1-(2-naphthalen-2-yloxyethoxy)naphthalene-2-carbonyl]amino]propanoic acid

C27H25NO5 — CID 24768906

IUPAC2-methyl-2-[[1-(2-naphthalen-2-yloxyethoxy)naphthalene-2-carbonyl]amino]propanoic acid
SMILESCC(C)(NC(=O)c1ccc2ccccc2c1OCCOc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C27H25NO5/c1-27(2,26(30)31)28-25(29)23-14-12-19-8-5-6-10-22(19)24(23)33-16-15-32-21-13-11-18-7-3-4-9-20(18)17-21/h3-14,17H,15-16H2,1-2H3,(H,28,29)(H,30,31)
InChIKeyZCODYZFBKBKPAV-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.04
Rot. Bonds8

About 2-methyl-2-[[1-(2-naphthalen-2-yloxyethoxy)naphthalene-2-carbonyl]amino]propanoic acid

2-methyl-2-[[1-(2-naphthalen-2-yloxyethoxy)naphthalene-2-carbonyl]amino]propanoic acid (PubChem CID 24768906) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-methyl-2-[[1-(2-naphthalen-2-yloxyethoxy)naphthalene-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[1-(2-naphthalen-2-yloxyethoxy)naphthalene-2-carbonyl]amino]propanoic acid
PubChem CID24768906
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC Name2-methyl-2-[[1-(2-naphthalen-2-yloxyethoxy)naphthalene-2-carbonyl]amino]propanoic acid
SMILESCC(C)(NC(=O)c1ccc2ccccc2c1OCCOc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C27H25NO5/c1-27(2,26(30)31)28-25(29)23-14-12-19-8-5-6-10-22(19)24(23)33-16-15-32-21-13-11-18-7-3-4-9-20(18)17-21/h3-14,17H,15-16H2,1-2H3,(H,28,29)(H,30,31)
InChIKeyZCODYZFBKBKPAV-UHFFFAOYSA-N
XLogP5.04
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.04
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-(3-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 24769729
2-[[1-[2-(2-methoxyphenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 24769730
2-methyl-2-[[1-[2-(2-methylphenoxy)ethoxy]naphthalene-2-carbonyl]amino]propanoic acid
CID 90763374
2-[[1-[2-(2-chloro-4-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 24769727
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-[(2R)-1-phenoxypropan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid
CID 24769568
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
2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid
CID 65248421
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-naphthalen-2-yloxyethoxy)naphthalene-2-carbonyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[1-(2-naphthalen-2-yloxyethoxy)naphthalene-2-carbonyl]amino]propanoic acid (CID 24768906) is 2-methyl-2-[[1-(2-naphthalen-2-yloxyethoxy)naphthalene-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[1-(2-naphthalen-2-yloxyethoxy)naphthalene-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[1-(2-naphthalen-2-yloxyethoxy)naphthalene-2-carbonyl]amino]propanoic acid is CC(C)(NC(=O)c1ccc2ccccc2c1OCCOc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[1-(2-naphthalen-2-yloxyethoxy)naphthalene-2-carbonyl]amino]propanoic acid?
The InChIKey is ZCODYZFBKBKPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/c1-27(2,26(30)31)28-25(29)23-14-12-19-8-5-6-10-22(19)24(23)33-16-15-32-21-13-11-18-7-3-4-9-20(18)17-21/h3-14,17H,15-16H2,1-2H3,(H,28,29)(H,30,31).
What are the key properties of 2-methyl-2-[[1-(2-naphthalen-2-yloxyethoxy)naphthalene-2-carbonyl]amino]propanoic acid?
2-methyl-2-[[1-(2-naphthalen-2-yloxyethoxy)naphthalene-2-carbonyl]amino]propanoic acid has a molecular weight of 443.50 g/mol, XLogP of 5.04, 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-naphthalen-2-yloxyethoxy)naphthalene-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 24768906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).