4-[4-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methoxy]phenyl]butanoic acid

C30H29NO4 — CID 174458881

IUPAC4-[4-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methoxy]phenyl]butanoic acid
SMILESCC(C(=O)Nc1ccccc1COc1ccc(CCCC(=O)O)cc1)c1cccc2ccccc12
InChIInChI=1S/C30H29NO4/c1-21(26-13-7-11-23-9-2-4-12-27(23)26)30(34)31-28-14-5-3-10-24(28)20-35-25-18-16-22(17-19-25)8-6-15-29(32)33/h2-5,7,9-14,16-19,21H,6,8,15,20H2,1H3,(H,31,34)(H,32,33)
InChIKeyBQHCOALIJCMRDA-UHFFFAOYSA-N
MW467.57 g/mol
LogP6.57
Rot. Bonds10

About 4-[4-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methoxy]phenyl]butanoic acid

4-[4-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methoxy]phenyl]butanoic acid (PubChem CID 174458881) has the molecular formula C30H29NO4 and a molecular weight of 467.57 g/mol. Its IUPAC name is 4-[4-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methoxy]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methoxy]phenyl]butanoic acid
PubChem CID174458881
Molecular FormulaC30H29NO4
Molecular Weight467.57 g/mol
Exact Mass467.21
IUPAC Name4-[4-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methoxy]phenyl]butanoic acid
SMILESCC(C(=O)Nc1ccccc1COc1ccc(CCCC(=O)O)cc1)c1cccc2ccccc12
InChIInChI=1S/C30H29NO4/c1-21(26-13-7-11-23-9-2-4-12-27(23)26)30(34)31-28-14-5-3-10-24(28)20-35-25-18-16-22(17-19-25)8-6-15-29(32)33/h2-5,7,9-14,16-19,21H,6,8,15,20H2,1H3,(H,31,34)(H,32,33)
InChIKeyBQHCOALIJCMRDA-UHFFFAOYSA-N
XLogP6.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[4-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methoxy]phenyl]butanoic acid with MolForge

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Related Compounds

ethane;4-[2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
CID 91562881
4-[3-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
CID 174471581
4-[4-fluoro-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
CID 10156574
4-[4-(benzenesulfinylmethyl)-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
CID 23017572
4-[4-[[(3-methylbenzoyl)amino]methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
CID 23016966
N-[2-butyl-5-(phenylmethoxymethyl)phenyl]-2-naphthalen-1-ylpropanamide
CID 142214275
10-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaene-1-carboxylic acid
CID 163426192
4-[2-[2-(4-pentylphenyl)propanoylamino]phenyl]butanoic acid
CID 10110400
2-[[2-(2-naphthalen-1-ylpropanoylamino)-4-(pyridin-3-yloxymethyl)phenyl]methyl]benzoic acid
CID 23017064
3-[4-[[2-[2-(4-fluoronaphthalen-1-yl)propanoylamino]phenoxy]methyl]phenyl]propanoic acid
CID 174458867
N-[2-benzyl-5-[(2-chloro-5-methylphenoxy)methyl]phenyl]-2-naphthalen-1-ylpropanamide
CID 141063789
4-[4-(2-methylpropoxy)phenyl]butanoic acid
CID 82050407

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methoxy]phenyl]butanoic acid?
The IUPAC name of 4-[4-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methoxy]phenyl]butanoic acid (CID 174458881) is 4-[4-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methoxy]phenyl]butanoic acid.
What is the SMILES notation for 4-[4-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methoxy]phenyl]butanoic acid?
The canonical SMILES for 4-[4-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methoxy]phenyl]butanoic acid is CC(C(=O)Nc1ccccc1COc1ccc(CCCC(=O)O)cc1)c1cccc2ccccc12.
What is the InChIKey of 4-[4-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methoxy]phenyl]butanoic acid?
The InChIKey is BQHCOALIJCMRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO4/c1-21(26-13-7-11-23-9-2-4-12-27(23)26)30(34)31-28-14-5-3-10-24(28)20-35-25-18-16-22(17-19-25)8-6-15-29(32)33/h2-5,7,9-14,16-19,21H,6,8,15,20H2,1H3,(H,31,34)(H,32,33).
What are the key properties of 4-[4-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methoxy]phenyl]butanoic acid?
4-[4-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methoxy]phenyl]butanoic acid has a molecular weight of 467.57 g/mol, XLogP of 6.57, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methoxy]phenyl]butanoic acid is sourced from PubChem (CID 174458881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).