N,8-dihydroxy-8-naphthalen-2-yloctanamide

C18H23NO3 — CID 11044829

IUPACN,8-dihydroxy-8-naphthalen-2-yloctanamide
SMILESO=C(CCCCCCC(O)c1ccc2ccccc2c1)NO
InChIInChI=1S/C18H23NO3/c20-17(9-3-1-2-4-10-18(21)19-22)16-12-11-14-7-5-6-8-15(14)13-16/h5-8,11-13,17,20,22H,1-4,9-10H2,(H,19,21)
InChIKeyJWCSCYWHCCHTEF-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.72
Rot. Bonds8

About N,8-dihydroxy-8-naphthalen-2-yloctanamide

N,8-dihydroxy-8-naphthalen-2-yloctanamide (PubChem CID 11044829) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N,8-dihydroxy-8-naphthalen-2-yloctanamide.

Molecular Properties

Compound NameN,8-dihydroxy-8-naphthalen-2-yloctanamide
PubChem CID11044829
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN,8-dihydroxy-8-naphthalen-2-yloctanamide
SMILESO=C(CCCCCCC(O)c1ccc2ccccc2c1)NO
InChIInChI=1S/C18H23NO3/c20-17(9-3-1-2-4-10-18(21)19-22)16-12-11-14-7-5-6-8-15(14)13-16/h5-8,11-13,17,20,22H,1-4,9-10H2,(H,19,21)
InChIKeyJWCSCYWHCCHTEF-UHFFFAOYSA-N
XLogP3.72
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-naphthalen-2-ylbutane-1,4-diol
CID 163077127
(8E)-N-hydroxy-8-hydroxyimino-8-naphthalen-2-yloctanamide
CID 10903123
3-amino-1-naphthalen-2-ylpropan-1-ol
CID 65184856
5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide
CID 106237033
N-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylsulfanylbutanamide
CID 111434804
N,6-dihydroxy-6-[4-[2-(4-methylphenyl)ethynyl]phenyl]hexanamide
CID 23503045
N-(1-naphthalen-2-ylethyl)hexanamide
CID 112762295
4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol
CID 64565521
methyl 3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361476
methyl (3R)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361475
2-benzhydryl-N'-hydroxyoctanediamide
CID 87214895
4-hydroxy-N-methoxy-N-methyl-4-naphthalen-2-ylbutanamide
CID 135059721

Frequently Asked Questions

What is the IUPAC name of N,8-dihydroxy-8-naphthalen-2-yloctanamide?
The IUPAC name of N,8-dihydroxy-8-naphthalen-2-yloctanamide (CID 11044829) is N,8-dihydroxy-8-naphthalen-2-yloctanamide.
What is the SMILES notation for N,8-dihydroxy-8-naphthalen-2-yloctanamide?
The canonical SMILES for N,8-dihydroxy-8-naphthalen-2-yloctanamide is O=C(CCCCCCC(O)c1ccc2ccccc2c1)NO.
What is the InChIKey of N,8-dihydroxy-8-naphthalen-2-yloctanamide?
The InChIKey is JWCSCYWHCCHTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-17(9-3-1-2-4-10-18(21)19-22)16-12-11-14-7-5-6-8-15(14)13-16/h5-8,11-13,17,20,22H,1-4,9-10H2,(H,19,21).
What are the key properties of N,8-dihydroxy-8-naphthalen-2-yloctanamide?
N,8-dihydroxy-8-naphthalen-2-yloctanamide has a molecular weight of 301.39 g/mol, XLogP of 3.72, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dihydroxy-8-naphthalen-2-yloctanamide is sourced from PubChem (CID 11044829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).