1-hydroxy-N-(5-hydroxy-4-methylpentyl)naphthalene-2-carboxamide

C17H21NO3 — CID 103864730

IUPAC1-hydroxy-N-(5-hydroxy-4-methylpentyl)naphthalene-2-carboxamide
SMILESCC(CO)CCCNC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C17H21NO3/c1-12(11-19)5-4-10-18-17(21)15-9-8-13-6-2-3-7-14(13)16(15)20/h2-3,6-9,12,19-20H,4-5,10-11H2,1H3,(H,18,21)
InChIKeyPNZTXNJXANFQTE-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.68
Rot. Bonds6

About 1-hydroxy-N-(5-hydroxy-4-methylpentyl)naphthalene-2-carboxamide

1-hydroxy-N-(5-hydroxy-4-methylpentyl)naphthalene-2-carboxamide (PubChem CID 103864730) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-hydroxy-N-(5-hydroxy-4-methylpentyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-(5-hydroxy-4-methylpentyl)naphthalene-2-carboxamide
PubChem CID103864730
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-hydroxy-N-(5-hydroxy-4-methylpentyl)naphthalene-2-carboxamide
SMILESCC(CO)CCCNC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C17H21NO3/c1-12(11-19)5-4-10-18-17(21)15-9-8-13-6-2-3-7-14(13)16(15)20/h2-3,6-9,12,19-20H,4-5,10-11H2,1H3,(H,18,21)
InChIKeyPNZTXNJXANFQTE-UHFFFAOYSA-N
XLogP2.68
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.68
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

N-(5-hydroxy-4-methylpentyl)-2-methylsulfanylbenzamide
CID 103861423
2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103890698
N-[2-(ethylamino)ethyl]-1-hydroxynaphthalene-2-carboxamide
CID 62656875
1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide
CID 111697244
N-(5-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide
CID 103862006
1-hydroxy-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide
CID 115633303
N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
CID 103862364
2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 113340863
5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide
CID 103861766
2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 103862151
2-bromo-4-chloro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862023
N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide
CID 106153058

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(5-hydroxy-4-methylpentyl)naphthalene-2-carboxamide?
The IUPAC name of 1-hydroxy-N-(5-hydroxy-4-methylpentyl)naphthalene-2-carboxamide (CID 103864730) is 1-hydroxy-N-(5-hydroxy-4-methylpentyl)naphthalene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-(5-hydroxy-4-methylpentyl)naphthalene-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-(5-hydroxy-4-methylpentyl)naphthalene-2-carboxamide is CC(CO)CCCNC(=O)c1ccc2ccccc2c1O.
What is the InChIKey of 1-hydroxy-N-(5-hydroxy-4-methylpentyl)naphthalene-2-carboxamide?
The InChIKey is PNZTXNJXANFQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(11-19)5-4-10-18-17(21)15-9-8-13-6-2-3-7-14(13)16(15)20/h2-3,6-9,12,19-20H,4-5,10-11H2,1H3,(H,18,21).
What are the key properties of 1-hydroxy-N-(5-hydroxy-4-methylpentyl)naphthalene-2-carboxamide?
1-hydroxy-N-(5-hydroxy-4-methylpentyl)naphthalene-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(5-hydroxy-4-methylpentyl)naphthalene-2-carboxamide is sourced from PubChem (CID 103864730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).