N-(2,5-dioctoxyphenyl)-3-hydroxynaphthalene-2-carboxamide

C33H45NO4 — CID 71417500

IUPACN-(2,5-dioctoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
SMILESCCCCCCCCOc1ccc(OCCCCCCCC)c(NC(=O)c2cc3ccccc3cc2O)c1
InChIInChI=1S/C33H45NO4/c1-3-5-7-9-11-15-21-37-28-19-20-32(38-22-16-12-10-8-6-4-2)30(25-28)34-33(36)29-23-26-17-13-14-18-27(26)24-31(29)35/h13-14,17-20,23-25,35H,3-12,15-16,21-22H2,1-2H3,(H,34,36)
InChIKeyWUZHHQYRZFGWNL-UHFFFAOYSA-N
MW519.73 g/mol
LogP9.28
Rot. Bonds18

About N-(2,5-dioctoxyphenyl)-3-hydroxynaphthalene-2-carboxamide

N-(2,5-dioctoxyphenyl)-3-hydroxynaphthalene-2-carboxamide (PubChem CID 71417500) has the molecular formula C33H45NO4 and a molecular weight of 519.73 g/mol. Its IUPAC name is N-(2,5-dioctoxyphenyl)-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dioctoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
PubChem CID71417500
Molecular FormulaC33H45NO4
Molecular Weight519.73 g/mol
Exact Mass519.33
IUPAC NameN-(2,5-dioctoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
SMILESCCCCCCCCOc1ccc(OCCCCCCCC)c(NC(=O)c2cc3ccccc3cc2O)c1
InChIInChI=1S/C33H45NO4/c1-3-5-7-9-11-15-21-37-28-19-20-32(38-22-16-12-10-8-6-4-2)30(25-28)34-33(36)29-23-26-17-13-14-18-27(26)24-31(29)35/h13-14,17-20,23-25,35H,3-12,15-16,21-22H2,1-2H3,(H,34,36)
InChIKeyWUZHHQYRZFGWNL-UHFFFAOYSA-N
XLogP9.28
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.73
LogP ≤ 59.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2,5-dioctoxyphenyl)-3-hydroxynaphthalene-2-carboxamide 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

2-[2-[[1-(2,5-dioctoxyanilino)-1-oxopropan-2-yl]-methylamino]ethyl-methylamino]-N-(2,5-dioctoxyphenyl)propanamide
CID 132575165
5-hexadecoxy-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide
CID 20557169
N-(2-butoxyphenyl)-2,4-diethoxybenzamide
CID 17087110
[2,4-di(undecoxy)phenyl]-(2-hydroxy-4-undecoxyphenyl)methanone
CID 20743749
(4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone
CID 19832534
5-amino-N-[5-[(5-amino-2-butoxybenzoyl)amino]-2,4-dioctoxyphenyl]-2-butoxybenzamide
CID 102030458
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
2-[(4,5-dimethyl-2-tetradecoxyphenyl)carbamoyl]benzoic acid
CID 51000555
(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860
(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812
2,5-didodecoxybenzoic acid
CID 168826367
4-heptoxy-N-naphthalen-1-ylbenzamide
CID 4950571

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioctoxyphenyl)-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-(2,5-dioctoxyphenyl)-3-hydroxynaphthalene-2-carboxamide (CID 71417500) is N-(2,5-dioctoxyphenyl)-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(2,5-dioctoxyphenyl)-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-(2,5-dioctoxyphenyl)-3-hydroxynaphthalene-2-carboxamide is CCCCCCCCOc1ccc(OCCCCCCCC)c(NC(=O)c2cc3ccccc3cc2O)c1.
What is the InChIKey of N-(2,5-dioctoxyphenyl)-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is WUZHHQYRZFGWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45NO4/c1-3-5-7-9-11-15-21-37-28-19-20-32(38-22-16-12-10-8-6-4-2)30(25-28)34-33(36)29-23-26-17-13-14-18-27(26)24-31(29)35/h13-14,17-20,23-25,35H,3-12,15-16,21-22H2,1-2H3,(H,34,36).
What are the key properties of N-(2,5-dioctoxyphenyl)-3-hydroxynaphthalene-2-carboxamide?
N-(2,5-dioctoxyphenyl)-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 519.73 g/mol, XLogP of 9.28, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioctoxyphenyl)-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 71417500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).