4-hydroxy-N-pentylnaphthalene-1-carboxamide

C16H19NO2 — CID 139771877

IUPAC4-hydroxy-N-pentylnaphthalene-1-carboxamide
SMILESCCCCCNC(=O)c1ccc(O)c2ccccc12
InChIInChI=1S/C16H19NO2/c1-2-3-6-11-17-16(19)14-9-10-15(18)13-8-5-4-7-12(13)14/h4-5,7-10,18H,2-3,6,11H2,1H3,(H,17,19)
InChIKeyOMLIHQJSPVKXKZ-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.47
Rot. Bonds5

About 4-hydroxy-N-pentylnaphthalene-1-carboxamide

4-hydroxy-N-pentylnaphthalene-1-carboxamide (PubChem CID 139771877) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-hydroxy-N-pentylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-pentylnaphthalene-1-carboxamide
PubChem CID139771877
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-hydroxy-N-pentylnaphthalene-1-carboxamide
SMILESCCCCCNC(=O)c1ccc(O)c2ccccc12
InChIInChI=1S/C16H19NO2/c1-2-3-6-11-17-16(19)14-9-10-15(18)13-8-5-4-7-12(13)14/h4-5,7-10,18H,2-3,6,11H2,1H3,(H,17,19)
InChIKeyOMLIHQJSPVKXKZ-UHFFFAOYSA-N
XLogP3.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-hydroxy-N-pentylnaphthalene-1-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

4-fluoro-N-pentylnaphthalene-1-carboxamide
CID 114088205
1,4-dihydroxy-N-octylnaphthalene-2-carboxamide
CID 139806223
N-dodecylnaphthalene-1-carboxamide
CID 4278758
4-amino-N-butylnaphthalene-1-carboxamide
CID 70501501
2-(hydroxymethyl)-N-tetradecylbenzamide
CID 23299401
2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide
CID 164886020
N-dodecyl-1-hydroxy-4-iodonaphthalene-2-carboxamide
CID 23456855
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
2-(pentylcarbamoyl)benzoate
CID 7429981
N-hexyl-2-methylbenzamide
CID 3017102
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-chloro-N-undecylbenzamide
CID 3373978

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-pentylnaphthalene-1-carboxamide?
The IUPAC name of 4-hydroxy-N-pentylnaphthalene-1-carboxamide (CID 139771877) is 4-hydroxy-N-pentylnaphthalene-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-pentylnaphthalene-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-pentylnaphthalene-1-carboxamide is CCCCCNC(=O)c1ccc(O)c2ccccc12.
What is the InChIKey of 4-hydroxy-N-pentylnaphthalene-1-carboxamide?
The InChIKey is OMLIHQJSPVKXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-3-6-11-17-16(19)14-9-10-15(18)13-8-5-4-7-12(13)14/h4-5,7-10,18H,2-3,6,11H2,1H3,(H,17,19).
What are the key properties of 4-hydroxy-N-pentylnaphthalene-1-carboxamide?
4-hydroxy-N-pentylnaphthalene-1-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-pentylnaphthalene-1-carboxamide is sourced from PubChem (CID 139771877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).