5-[5-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]naphthalen-1-yl]-4-phenylpentanoic acid

C32H33NO3 — CID 139938517

IUPAC5-[5-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]naphthalen-1-yl]-4-phenylpentanoic acid
SMILESCc1ccccc1CCNC(=O)Cc1cccc2c(CC(CCC(=O)O)c3ccccc3)cccc12
InChIInChI=1S/C32H33NO3/c1-23-9-5-6-10-24(23)19-20-33-31(34)22-28-14-8-15-29-27(13-7-16-30(28)29)21-26(17-18-32(35)36)25-11-3-2-4-12-25/h2-16,26H,17-22H2,1H3,(H,33,34)(H,35,36)
InChIKeyLFCZOKKGZAJIIG-UHFFFAOYSA-N
MW479.62 g/mol
LogP6.24
Rot. Bonds11

About 5-[5-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]naphthalen-1-yl]-4-phenylpentanoic acid

5-[5-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]naphthalen-1-yl]-4-phenylpentanoic acid (PubChem CID 139938517) has the molecular formula C32H33NO3 and a molecular weight of 479.62 g/mol. Its IUPAC name is 5-[5-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]naphthalen-1-yl]-4-phenylpentanoic acid.

Molecular Properties

Compound Name5-[5-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]naphthalen-1-yl]-4-phenylpentanoic acid
PubChem CID139938517
Molecular FormulaC32H33NO3
Molecular Weight479.62 g/mol
Exact Mass479.25
IUPAC Name5-[5-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]naphthalen-1-yl]-4-phenylpentanoic acid
SMILESCc1ccccc1CCNC(=O)Cc1cccc2c(CC(CCC(=O)O)c3ccccc3)cccc12
InChIInChI=1S/C32H33NO3/c1-23-9-5-6-10-24(23)19-20-33-31(34)22-28-14-8-15-29-27(13-7-16-30(28)29)21-26(17-18-32(35)36)25-11-3-2-4-12-25/h2-16,26H,17-22H2,1H3,(H,33,34)(H,35,36)
InChIKeyLFCZOKKGZAJIIG-UHFFFAOYSA-N
XLogP6.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.62
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[5-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]naphthalen-1-yl]-4-phenylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 78911171
benzenethiol;7-[4-[2-oxo-2-(2-phenylethylamino)ethyl]naphthalen-1-yl]-6-phenylheptanamide
CID 142024806
N-(3,3-diphenylpropyl)-2-naphthalen-1-ylacetamide
CID 7935580
4-[2-(2-methylphenyl)ethylamino]pentanoic acid
CID 79762866
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 9007647
5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid
CID 62033790
N-[2-(2-methylphenyl)ethyl]-2-(1-phenylethylsulfanyl)acetamide
CID 78851393
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-naphthalen-1-ylacetamide
CID 41318235
1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea
CID 18144066
N-[2-(2-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107032245
N-[2-(2-methylphenyl)ethyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132988
N-[2-[2-(2-methylphenyl)ethylamino]-2-oxo-1-phenylethyl]benzamide
CID 55456531

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]naphthalen-1-yl]-4-phenylpentanoic acid?
The IUPAC name of 5-[5-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]naphthalen-1-yl]-4-phenylpentanoic acid (CID 139938517) is 5-[5-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]naphthalen-1-yl]-4-phenylpentanoic acid.
What is the SMILES notation for 5-[5-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]naphthalen-1-yl]-4-phenylpentanoic acid?
The canonical SMILES for 5-[5-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]naphthalen-1-yl]-4-phenylpentanoic acid is Cc1ccccc1CCNC(=O)Cc1cccc2c(CC(CCC(=O)O)c3ccccc3)cccc12.
What is the InChIKey of 5-[5-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]naphthalen-1-yl]-4-phenylpentanoic acid?
The InChIKey is LFCZOKKGZAJIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO3/c1-23-9-5-6-10-24(23)19-20-33-31(34)22-28-14-8-15-29-27(13-7-16-30(28)29)21-26(17-18-32(35)36)25-11-3-2-4-12-25/h2-16,26H,17-22H2,1H3,(H,33,34)(H,35,36).
What are the key properties of 5-[5-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]naphthalen-1-yl]-4-phenylpentanoic acid?
5-[5-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]naphthalen-1-yl]-4-phenylpentanoic acid has a molecular weight of 479.62 g/mol, XLogP of 6.24, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]naphthalen-1-yl]-4-phenylpentanoic acid is sourced from PubChem (CID 139938517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).