2,5-dihydroxybenzamide;octane

C15H25NO3 — CID 68597102

IUPAC2,5-dihydroxybenzamide;octane
SMILESCCCCCCCC.NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C8H18.C7H7NO3/c1-3-5-7-8-6-4-2;8-7(11)5-3-4(9)1-2-6(5)10/h3-8H2,1-2H3;1-3,9-10H,(H2,8,11)
InChIKeyMVWBRSBFDHWTLH-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.56
Rot. Bonds6

About 2,5-dihydroxybenzamide;octane

2,5-dihydroxybenzamide;octane (PubChem CID 68597102) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2,5-dihydroxybenzamide;octane.

Molecular Properties

Compound Name2,5-dihydroxybenzamide;octane
PubChem CID68597102
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2,5-dihydroxybenzamide;octane
SMILESCCCCCCCC.NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C8H18.C7H7NO3/c1-3-5-7-8-6-4-2;8-7(11)5-3-4(9)1-2-6(5)10/h3-8H2,1-2H3;1-3,9-10H,(H2,8,11)
InChIKeyMVWBRSBFDHWTLH-UHFFFAOYSA-N
XLogP3.56
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dihydroxyphenyl)dodecan-1-one
CID 14443793
ethane;hexane;2-hydroxybenzamide
CID 143703157
4,6-dihexylbenzene-1,3-dicarboxamide
CID 140600774
[dibutyl-(2,5-dihydroxybenzoyl)oxystannyl] 2,5-dihydroxybenzoate
CID 16707575
2-tridecylbenzene-1,4-diol
CID 19033717
3-decylbenzene-1,2,4,5-tetracarboxamide
CID 175294645
bis(2,5-dihydroxybenzoic acid);bis(2-ethoxybenzamide)
CID 139194412
N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide
CID 103891986
2,5-dihydroxy-N-[(E)-1-phenylheptylideneamino]benzamide
CID 17337787
CID 70568956
CID 70568956
sodium 2-dodecylbenzene-1,4-diol
CID 23460783
CID 70369806
CID 70369806

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxybenzamide;octane?
The IUPAC name of 2,5-dihydroxybenzamide;octane (CID 68597102) is 2,5-dihydroxybenzamide;octane.
What is the SMILES notation for 2,5-dihydroxybenzamide;octane?
The canonical SMILES for 2,5-dihydroxybenzamide;octane is CCCCCCCC.NC(=O)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxybenzamide;octane?
The InChIKey is MVWBRSBFDHWTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C7H7NO3/c1-3-5-7-8-6-4-2;8-7(11)5-3-4(9)1-2-6(5)10/h3-8H2,1-2H3;1-3,9-10H,(H2,8,11).
What are the key properties of 2,5-dihydroxybenzamide;octane?
2,5-dihydroxybenzamide;octane has a molecular weight of 267.37 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxybenzamide;octane is sourced from PubChem (CID 68597102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).