4-[[2-[(3-methylphenyl)methoxy]naphthalen-1-yl]methylamino]-4-oxobutanoic acid

C23H23NO4 — CID 20986156

IUPAC4-[[2-[(3-methylphenyl)methoxy]naphthalen-1-yl]methylamino]-4-oxobutanoic acid
SMILESCc1cccc(COc2ccc3ccccc3c2CNC(=O)CCC(=O)O)c1
InChIInChI=1S/C23H23NO4/c1-16-5-4-6-17(13-16)15-28-21-10-9-18-7-2-3-8-19(18)20(21)14-24-22(25)11-12-23(26)27/h2-10,13H,11-12,14-15H2,1H3,(H,24,25)(H,26,27)
InChIKeyIJDLDJOVZGSQFX-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.21
Rot. Bonds8

About 4-[[2-[(3-methylphenyl)methoxy]naphthalen-1-yl]methylamino]-4-oxobutanoic acid

4-[[2-[(3-methylphenyl)methoxy]naphthalen-1-yl]methylamino]-4-oxobutanoic acid (PubChem CID 20986156) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-[[2-[(3-methylphenyl)methoxy]naphthalen-1-yl]methylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[2-[(3-methylphenyl)methoxy]naphthalen-1-yl]methylamino]-4-oxobutanoic acid
PubChem CID20986156
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name4-[[2-[(3-methylphenyl)methoxy]naphthalen-1-yl]methylamino]-4-oxobutanoic acid
SMILESCc1cccc(COc2ccc3ccccc3c2CNC(=O)CCC(=O)O)c1
InChIInChI=1S/C23H23NO4/c1-16-5-4-6-17(13-16)15-28-21-10-9-18-7-2-3-8-19(18)20(21)14-24-22(25)11-12-23(26)27/h2-10,13H,11-12,14-15H2,1H3,(H,24,25)(H,26,27)
InChIKeyIJDLDJOVZGSQFX-UHFFFAOYSA-N
XLogP4.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 20987225
4-[[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 20991295
4-oxo-4-[[2-(2-phenoxyethoxy)naphthalen-1-yl]methylamino]butanoic acid
CID 22687298
4-[2-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 20985430
4-[(2-ethoxynaphthalen-1-yl)methylamino]-4-oxobutanoate
CID 9151494
4-[[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 20989299
4-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 22680860
2-[(3-methylphenyl)methoxy]-1-phenylnaphthalene
CID 132584959
1-bromo-2-[(3-methylphenyl)methoxy]naphthalene
CID 60623253
4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 54896358
2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid
CID 66527244
N-[(3-methylphenyl)methyl]-4-oxo-4-phenylbutanamide
CID 33278184

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3-methylphenyl)methoxy]naphthalen-1-yl]methylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[[2-[(3-methylphenyl)methoxy]naphthalen-1-yl]methylamino]-4-oxobutanoic acid (CID 20986156) is 4-[[2-[(3-methylphenyl)methoxy]naphthalen-1-yl]methylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[2-[(3-methylphenyl)methoxy]naphthalen-1-yl]methylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[2-[(3-methylphenyl)methoxy]naphthalen-1-yl]methylamino]-4-oxobutanoic acid is Cc1cccc(COc2ccc3ccccc3c2CNC(=O)CCC(=O)O)c1.
What is the InChIKey of 4-[[2-[(3-methylphenyl)methoxy]naphthalen-1-yl]methylamino]-4-oxobutanoic acid?
The InChIKey is IJDLDJOVZGSQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-16-5-4-6-17(13-16)15-28-21-10-9-18-7-2-3-8-19(18)20(21)14-24-22(25)11-12-23(26)27/h2-10,13H,11-12,14-15H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 4-[[2-[(3-methylphenyl)methoxy]naphthalen-1-yl]methylamino]-4-oxobutanoic acid?
4-[[2-[(3-methylphenyl)methoxy]naphthalen-1-yl]methylamino]-4-oxobutanoic acid has a molecular weight of 377.44 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3-methylphenyl)methoxy]naphthalen-1-yl]methylamino]-4-oxobutanoic acid is sourced from PubChem (CID 20986156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).