3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide

C28H28N2O4 — CID 3119117

IUPAC3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide
SMILESO=C(NCCCCCCNC(=O)c1cc2ccccc2cc1O)c1cc2ccccc2cc1O
InChIInChI=1S/C28H28N2O4/c31-25-17-21-11-5-3-9-19(21)15-23(25)27(33)29-13-7-1-2-8-14-30-28(34)24-16-20-10-4-6-12-22(20)18-26(24)32/h3-6,9-12,15-18,31-32H,1-2,7-8,13-14H2,(H,29,33)(H,30,34)
InChIKeyGJRIECLFNQNSCE-UHFFFAOYSA-N
MW456.54 g/mol
LogP5.12
Rot. Bonds9

About 3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide

3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide (PubChem CID 3119117) has the molecular formula C28H28N2O4 and a molecular weight of 456.54 g/mol. Its IUPAC name is 3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide
PubChem CID3119117
Molecular FormulaC28H28N2O4
Molecular Weight456.54 g/mol
Exact Mass456.20
IUPAC Name3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide
SMILESO=C(NCCCCCCNC(=O)c1cc2ccccc2cc1O)c1cc2ccccc2cc1O
InChIInChI=1S/C28H28N2O4/c31-25-17-21-11-5-3-9-19(21)15-23(25)27(33)29-13-7-1-2-8-14-30-28(34)24-16-20-10-4-6-12-22(20)18-26(24)32/h3-6,9-12,15-18,31-32H,1-2,7-8,13-14H2,(H,29,33)(H,30,34)
InChIKeyGJRIECLFNQNSCE-UHFFFAOYSA-N
XLogP5.12
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.54
LogP ≤ 55.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide
CID 115325898
3-hydroxy-N-(2-methylsulfanylethyl)naphthalene-2-carboxamide
CID 60629996
3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide
CID 103722595
3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide
CID 115628024
3-hydroxy-N-(2-pyridin-1-ium-1-ylethyl)naphthalene-2-carboxamide
CID 57112556
N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide
CID 61166883
3-hydroxy-N-(3-methylsulfanylbutyl)naphthalene-2-carboxamide
CID 115604498
3-hydroxynaphthalene-2-carbohydrazide;sulfuric acid
CID 160733684
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
N'-butyl-3-hydroxynaphthalene-2-carbohydrazide
CID 118418396
3-hydroxy-N-[2-(pyrazin-2-ylamino)ethyl]naphthalene-2-carboxamide
CID 37105658
3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)naphthalene-2-carboxamide
CID 115665358

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide (CID 3119117) is 3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide is O=C(NCCCCCCNC(=O)c1cc2ccccc2cc1O)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide?
The InChIKey is GJRIECLFNQNSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4/c31-25-17-21-11-5-3-9-19(21)15-23(25)27(33)29-13-7-1-2-8-14-30-28(34)24-16-20-10-4-6-12-22(20)18-26(24)32/h3-6,9-12,15-18,31-32H,1-2,7-8,13-14H2,(H,29,33)(H,30,34).
What are the key properties of 3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide?
3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide has a molecular weight of 456.54 g/mol, XLogP of 5.12, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide is sourced from PubChem (CID 3119117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).