1,7-dihydroxy-N-(4-hydroxybutyl)naphthalene-2-carboxamide

C15H17NO4 — CID 167772657

IUPAC1,7-dihydroxy-N-(4-hydroxybutyl)naphthalene-2-carboxamide
SMILESO=C(NCCCCO)c1ccc2ccc(O)cc2c1O
InChIInChI=1S/C15H17NO4/c17-8-2-1-7-16-15(20)12-6-4-10-3-5-11(18)9-13(10)14(12)19/h3-6,9,17-19H,1-2,7-8H2,(H,16,20)
InChIKeyZDDBSNAHTGBLBP-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.75
Rot. Bonds5

About 1,7-dihydroxy-N-(4-hydroxybutyl)naphthalene-2-carboxamide

1,7-dihydroxy-N-(4-hydroxybutyl)naphthalene-2-carboxamide (PubChem CID 167772657) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 1,7-dihydroxy-N-(4-hydroxybutyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name1,7-dihydroxy-N-(4-hydroxybutyl)naphthalene-2-carboxamide
PubChem CID167772657
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name1,7-dihydroxy-N-(4-hydroxybutyl)naphthalene-2-carboxamide
SMILESO=C(NCCCCO)c1ccc2ccc(O)cc2c1O
InChIInChI=1S/C15H17NO4/c17-8-2-1-7-16-15(20)12-6-4-10-3-5-11(18)9-13(10)14(12)19/h3-6,9,17-19H,1-2,7-8H2,(H,16,20)
InChIKeyZDDBSNAHTGBLBP-UHFFFAOYSA-N
XLogP1.75
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.75
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

2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide
CID 102739502
5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide
CID 106843460
7-hydroxy-N-[4-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide
CID 135891381
2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107317154
7-hydroxy-N-[6-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]hexyl]-2-iminochromene-3-carboxamide
CID 135891416
2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide
CID 108797326
2,4-dihydroxy-N-(3-iodopropyl)benzamide
CID 107726207
N-[4-[3-[(2,5-dihydroxybenzoyl)amino]propylamino]butyl]-2,5-dihydroxybenzamide
CID 57339218
N-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide
CID 107673272
2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 107851393
4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
CID 106841516
4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide
CID 106842307

Frequently Asked Questions

What is the IUPAC name of 1,7-dihydroxy-N-(4-hydroxybutyl)naphthalene-2-carboxamide?
The IUPAC name of 1,7-dihydroxy-N-(4-hydroxybutyl)naphthalene-2-carboxamide (CID 167772657) is 1,7-dihydroxy-N-(4-hydroxybutyl)naphthalene-2-carboxamide.
What is the SMILES notation for 1,7-dihydroxy-N-(4-hydroxybutyl)naphthalene-2-carboxamide?
The canonical SMILES for 1,7-dihydroxy-N-(4-hydroxybutyl)naphthalene-2-carboxamide is O=C(NCCCCO)c1ccc2ccc(O)cc2c1O.
What is the InChIKey of 1,7-dihydroxy-N-(4-hydroxybutyl)naphthalene-2-carboxamide?
The InChIKey is ZDDBSNAHTGBLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c17-8-2-1-7-16-15(20)12-6-4-10-3-5-11(18)9-13(10)14(12)19/h3-6,9,17-19H,1-2,7-8H2,(H,16,20).
What are the key properties of 1,7-dihydroxy-N-(4-hydroxybutyl)naphthalene-2-carboxamide?
1,7-dihydroxy-N-(4-hydroxybutyl)naphthalene-2-carboxamide has a molecular weight of 275.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dihydroxy-N-(4-hydroxybutyl)naphthalene-2-carboxamide is sourced from PubChem (CID 167772657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).