2-[1-[2-(diethylaminomethoxy)naphthalen-1-yl]naphthalen-2-yl]benzoic acid

C32H29NO3 — CID 141418595

IUPAC2-[1-[2-(diethylaminomethoxy)naphthalen-1-yl]naphthalen-2-yl]benzoic acid
SMILESCCN(CC)COc1ccc2ccccc2c1-c1c(-c2ccccc2C(=O)O)ccc2ccccc12
InChIInChI=1S/C32H29NO3/c1-3-33(4-2)21-36-29-20-18-23-12-6-8-14-25(23)31(29)30-24-13-7-5-11-22(24)17-19-27(30)26-15-9-10-16-28(26)32(34)35/h5-20H,3-4,21H2,1-2H3,(H,34,35)
InChIKeyNGFDRRWRXSEKJE-UHFFFAOYSA-N
MW475.59 g/mol
LogP7.70
Rot. Bonds8

About 2-[1-[2-(diethylaminomethoxy)naphthalen-1-yl]naphthalen-2-yl]benzoic acid

2-[1-[2-(diethylaminomethoxy)naphthalen-1-yl]naphthalen-2-yl]benzoic acid (PubChem CID 141418595) has the molecular formula C32H29NO3 and a molecular weight of 475.59 g/mol. Its IUPAC name is 2-[1-[2-(diethylaminomethoxy)naphthalen-1-yl]naphthalen-2-yl]benzoic acid.

Molecular Properties

Compound Name2-[1-[2-(diethylaminomethoxy)naphthalen-1-yl]naphthalen-2-yl]benzoic acid
PubChem CID141418595
Molecular FormulaC32H29NO3
Molecular Weight475.59 g/mol
Exact Mass475.21
IUPAC Name2-[1-[2-(diethylaminomethoxy)naphthalen-1-yl]naphthalen-2-yl]benzoic acid
SMILESCCN(CC)COc1ccc2ccccc2c1-c1c(-c2ccccc2C(=O)O)ccc2ccccc12
InChIInChI=1S/C32H29NO3/c1-3-33(4-2)21-36-29-20-18-23-12-6-8-14-25(23)31(29)30-24-13-7-5-11-22(24)17-19-27(30)26-15-9-10-16-28(26)32(34)35/h5-20H,3-4,21H2,1-2H3,(H,34,35)
InChIKeyNGFDRRWRXSEKJE-UHFFFAOYSA-N
XLogP7.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[1-[2-(diethylaminomethoxy)naphthalen-1-yl]naphthalen-2-yl]benzoic 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

8-[1-(8-carboxynaphthalen-1-yl)naphthalen-2-yl]naphthalene-1-carboxylic acid
CID 175733393
2-(1-aminonaphthalen-2-yl)benzoic acid
CID 21398858
2-[[1-[2-[(1-carboxynaphthalen-2-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-1-carboxylic acid
CID 171648145
2-[[butyl(ethyl)amino]methoxy]benzoic acid
CID 22685507
2-[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride
CID 25112232
2-(2-diethoxyphosphorylnaphthalen-1-yl)benzoic acid
CID 102106648
4-[2-[6-[1-[3-(diethylcarbamoyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-yl]oxyhexoxy]naphthalen-1-yl]-N,N-diethyl-3-hydroxynaphthalene-2-carboxamide;zinc
CID 10581625
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
2-(naphthalen-1-yloxymethyl)benzoic acid
CID 43473128
[1-(2-butanoyloxynaphthalen-1-yl)naphthalen-2-yl] butanoate
CID 11004443
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
methyl 4-[[1-[2-[(4-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-1-carboxylate
CID 177253515

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(diethylaminomethoxy)naphthalen-1-yl]naphthalen-2-yl]benzoic acid?
The IUPAC name of 2-[1-[2-(diethylaminomethoxy)naphthalen-1-yl]naphthalen-2-yl]benzoic acid (CID 141418595) is 2-[1-[2-(diethylaminomethoxy)naphthalen-1-yl]naphthalen-2-yl]benzoic acid.
What is the SMILES notation for 2-[1-[2-(diethylaminomethoxy)naphthalen-1-yl]naphthalen-2-yl]benzoic acid?
The canonical SMILES for 2-[1-[2-(diethylaminomethoxy)naphthalen-1-yl]naphthalen-2-yl]benzoic acid is CCN(CC)COc1ccc2ccccc2c1-c1c(-c2ccccc2C(=O)O)ccc2ccccc12.
What is the InChIKey of 2-[1-[2-(diethylaminomethoxy)naphthalen-1-yl]naphthalen-2-yl]benzoic acid?
The InChIKey is NGFDRRWRXSEKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NO3/c1-3-33(4-2)21-36-29-20-18-23-12-6-8-14-25(23)31(29)30-24-13-7-5-11-22(24)17-19-27(30)26-15-9-10-16-28(26)32(34)35/h5-20H,3-4,21H2,1-2H3,(H,34,35).
What are the key properties of 2-[1-[2-(diethylaminomethoxy)naphthalen-1-yl]naphthalen-2-yl]benzoic acid?
2-[1-[2-(diethylaminomethoxy)naphthalen-1-yl]naphthalen-2-yl]benzoic acid has a molecular weight of 475.59 g/mol, XLogP of 7.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(diethylaminomethoxy)naphthalen-1-yl]naphthalen-2-yl]benzoic acid is sourced from PubChem (CID 141418595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).