1-(12-hydroxydodecyl)naphthalene-2-carboxamide

C23H33NO2 — CID 54116778

IUPAC1-(12-hydroxydodecyl)naphthalene-2-carboxamide
SMILESNC(=O)c1ccc2ccccc2c1CCCCCCCCCCCCO
InChIInChI=1S/C23H33NO2/c24-23(26)22-17-16-19-13-10-11-14-20(19)21(22)15-9-7-5-3-1-2-4-6-8-12-18-25/h10-11,13-14,16-17,25H,1-9,12,15,18H2,(H2,24,26)
InChIKeyNKWNGFRRCXUOOP-UHFFFAOYSA-N
MW355.52 g/mol
LogP5.37
Rot. Bonds13

About 1-(12-hydroxydodecyl)naphthalene-2-carboxamide

1-(12-hydroxydodecyl)naphthalene-2-carboxamide (PubChem CID 54116778) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is 1-(12-hydroxydodecyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-(12-hydroxydodecyl)naphthalene-2-carboxamide
PubChem CID54116778
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC Name1-(12-hydroxydodecyl)naphthalene-2-carboxamide
SMILESNC(=O)c1ccc2ccccc2c1CCCCCCCCCCCCO
InChIInChI=1S/C23H33NO2/c24-23(26)22-17-16-19-13-10-11-14-20(19)21(22)15-9-7-5-3-1-2-4-6-8-12-18-25/h10-11,13-14,16-17,25H,1-9,12,15,18H2,(H2,24,26)
InChIKeyNKWNGFRRCXUOOP-UHFFFAOYSA-N
XLogP5.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.52
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(12-hydroxydodecyl)naphthalene-2-carboxamide?
The IUPAC name of 1-(12-hydroxydodecyl)naphthalene-2-carboxamide (CID 54116778) is 1-(12-hydroxydodecyl)naphthalene-2-carboxamide.
What is the SMILES notation for 1-(12-hydroxydodecyl)naphthalene-2-carboxamide?
The canonical SMILES for 1-(12-hydroxydodecyl)naphthalene-2-carboxamide is NC(=O)c1ccc2ccccc2c1CCCCCCCCCCCCO.
What is the InChIKey of 1-(12-hydroxydodecyl)naphthalene-2-carboxamide?
The InChIKey is NKWNGFRRCXUOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2/c24-23(26)22-17-16-19-13-10-11-14-20(19)21(22)15-9-7-5-3-1-2-4-6-8-12-18-25/h10-11,13-14,16-17,25H,1-9,12,15,18H2,(H2,24,26).
What are the key properties of 1-(12-hydroxydodecyl)naphthalene-2-carboxamide?
1-(12-hydroxydodecyl)naphthalene-2-carboxamide has a molecular weight of 355.52 g/mol, XLogP of 5.37, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(12-hydroxydodecyl)naphthalene-2-carboxamide is sourced from PubChem (CID 54116778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).