3-hydroxynaphthalene-2-carboxylic acid;octanamide

C19H25NO4 — CID 22901759

IUPAC3-hydroxynaphthalene-2-carboxylic acid;octanamide
SMILESCCCCCCCC(N)=O.O=C(O)c1cc2ccccc2cc1O
InChIInChI=1S/C11H8O3.C8H17NO/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;1-2-3-4-5-6-7-8(9)10/h1-6,12H,(H,13,14);2-7H2,1H3,(H2,9,10)
InChIKeyGCXSUCGZINNABI-UHFFFAOYSA-N
MW331.41 g/mol
LogP4.08
Rot. Bonds7

About 3-hydroxynaphthalene-2-carboxylic acid;octanamide

3-hydroxynaphthalene-2-carboxylic acid;octanamide (PubChem CID 22901759) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 3-hydroxynaphthalene-2-carboxylic acid;octanamide.

Molecular Properties

Compound Name3-hydroxynaphthalene-2-carboxylic acid;octanamide
PubChem CID22901759
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name3-hydroxynaphthalene-2-carboxylic acid;octanamide
SMILESCCCCCCCC(N)=O.O=C(O)c1cc2ccccc2cc1O
InChIInChI=1S/C11H8O3.C8H17NO/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;1-2-3-4-5-6-7-8(9)10/h1-6,12H,(H,13,14);2-7H2,1H3,(H2,9,10)
InChIKeyGCXSUCGZINNABI-UHFFFAOYSA-N
XLogP4.08
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexanamide;phthalic acid
CID 159778698
CID 69256301
CID 69256301
docosane;2-hydroxybenzoic acid
CID 161423500
benzene-1,3,5-tricarboxylic acid;tris(heptanamide)
CID 67992233
benzene-1,3,5-tricarboxylic acid;tris(octanamide)
CID 67992226
7-butoxy-3-hydroxynaphthalene-2-carboxylic acid
CID 20559604
dodecanamide;2-hydroxy-N-phenylbenzamide
CID 174887161
decane;phthalic acid
CID 158763790
benzene-1,3,5-tricarboxylic acid;tris(hexanamide)
CID 67992130
4-decanoyl-2-hydroxybenzoic acid
CID 139775580
3-hydroxynaphthalene-2-carboxamide
CID 19317
hexanediamide;naphthalene
CID 175366237

Frequently Asked Questions

What is the IUPAC name of 3-hydroxynaphthalene-2-carboxylic acid;octanamide?
The IUPAC name of 3-hydroxynaphthalene-2-carboxylic acid;octanamide (CID 22901759) is 3-hydroxynaphthalene-2-carboxylic acid;octanamide.
What is the SMILES notation for 3-hydroxynaphthalene-2-carboxylic acid;octanamide?
The canonical SMILES for 3-hydroxynaphthalene-2-carboxylic acid;octanamide is CCCCCCCC(N)=O.O=C(O)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxynaphthalene-2-carboxylic acid;octanamide?
The InChIKey is GCXSUCGZINNABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3.C8H17NO/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;1-2-3-4-5-6-7-8(9)10/h1-6,12H,(H,13,14);2-7H2,1H3,(H2,9,10).
What are the key properties of 3-hydroxynaphthalene-2-carboxylic acid;octanamide?
3-hydroxynaphthalene-2-carboxylic acid;octanamide has a molecular weight of 331.41 g/mol, XLogP of 4.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxynaphthalene-2-carboxylic acid;octanamide is sourced from PubChem (CID 22901759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).