10-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaene-1-carboxylic acid

C31H27NO3 — CID 163426192

IUPAC10-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaene-1-carboxylic acid
SMILESCC(C(=O)Nc1ccccc1Cc1ccccccccc1C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C31H27NO3/c1-22(26-19-12-16-23-13-8-10-17-27(23)26)30(33)32-29-20-11-9-15-25(29)21-24-14-6-4-2-3-5-7-18-28(24)31(34)35/h2-20,22H,21H2,1H3,(H,32,33)(H,34,35)/b3-2-,4-2-,5-3-,6-4+,7-5+,14-6+,18-7+,24-14-,28-18+,28-24-
InChIKeyAMSNZBHHNNJAIA-AEIUJPJUSA-N
MW461.56 g/mol
LogP7.00
Rot. Bonds6

About 10-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaene-1-carboxylic acid

10-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaene-1-carboxylic acid (PubChem CID 163426192) has the molecular formula C31H27NO3 and a molecular weight of 461.56 g/mol. Its IUPAC name is 10-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaene-1-carboxylic acid.

Molecular Properties

Compound Name10-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaene-1-carboxylic acid
PubChem CID163426192
Molecular FormulaC31H27NO3
Molecular Weight461.56 g/mol
Exact Mass461.20
IUPAC Name10-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaene-1-carboxylic acid
SMILESCC(C(=O)Nc1ccccc1Cc1ccccccccc1C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C31H27NO3/c1-22(26-19-12-16-23-13-8-10-17-27(23)26)30(33)32-29-20-11-9-15-25(29)21-24-14-6-4-2-3-5-7-18-28(24)31(34)35/h2-20,22H,21H2,1H3,(H,32,33)(H,34,35)/b3-2-,4-2-,5-3-,6-4+,7-5+,14-6+,18-7+,24-14-,28-18+,28-24-
InChIKeyAMSNZBHHNNJAIA-AEIUJPJUSA-N
XLogP7.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.56
LogP ≤ 57.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 10-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaene-1-carboxylic acid with MolForge

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Related Compounds

2-[[2-(2-naphthalen-1-ylpropanoylamino)-4-(pyridin-3-yloxymethyl)phenyl]methyl]benzoic acid
CID 23017064
2-[[2-[2-(4-phenylphenyl)propanoylamino]phenyl]methyl]benzoic acid
CID 10296681
ethane;4-[2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
CID 91562881
2-naphthalen-1-ylpropanehydrazide
CID 116843953
4-[4-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methoxy]phenyl]butanoic acid
CID 174458881
4-[4-fluoro-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
CID 10156574
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
naphthalen-1-ylmethyl 2-(2-methylpropanoylamino)benzoate
CID 926085
N-[2-benzyl-5-[(2-chloro-5-methylphenoxy)methyl]phenyl]-2-naphthalen-1-ylpropanamide
CID 141063789
N-[2-butyl-5-(phenylmethoxymethyl)phenyl]-2-naphthalen-1-ylpropanamide
CID 142214275
N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide
CID 108500558

Frequently Asked Questions

What is the IUPAC name of 10-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaene-1-carboxylic acid?
The IUPAC name of 10-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaene-1-carboxylic acid (CID 163426192) is 10-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaene-1-carboxylic acid.
What is the SMILES notation for 10-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaene-1-carboxylic acid?
The canonical SMILES for 10-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaene-1-carboxylic acid is CC(C(=O)Nc1ccccc1Cc1ccccccccc1C(=O)O)c1cccc2ccccc12.
What is the InChIKey of 10-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaene-1-carboxylic acid?
The InChIKey is AMSNZBHHNNJAIA-AEIUJPJUSA-N. The full InChI is InChI=1S/C31H27NO3/c1-22(26-19-12-16-23-13-8-10-17-27(23)26)30(33)32-29-20-11-9-15-25(29)21-24-14-6-4-2-3-5-7-18-28(24)31(34)35/h2-20,22H,21H2,1H3,(H,32,33)(H,34,35)/b3-2-,4-2-,5-3-,6-4+,7-5+,14-6+,18-7+,24-14-,28-18+,28-24-.
What are the key properties of 10-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaene-1-carboxylic acid?
10-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaene-1-carboxylic acid has a molecular weight of 461.56 g/mol, XLogP of 7.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaene-1-carboxylic acid is sourced from PubChem (CID 163426192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).