N-(1-cyclohexylpropyl)-2,5-dihydroxybenzamide

C16H23NO3 — CID 107722905

IUPACN-(1-cyclohexylpropyl)-2,5-dihydroxybenzamide
SMILESCCC(NC(=O)c1cc(O)ccc1O)C1CCCCC1
InChIInChI=1S/C16H23NO3/c1-2-14(11-6-4-3-5-7-11)17-16(20)13-10-12(18)8-9-15(13)19/h8-11,14,18-19H,2-7H2,1H3,(H,17,20)
InChIKeyYLYJVASFABDDCL-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.19
Rot. Bonds4

About N-(1-cyclohexylpropyl)-2,5-dihydroxybenzamide

N-(1-cyclohexylpropyl)-2,5-dihydroxybenzamide (PubChem CID 107722905) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-(1-cyclohexylpropyl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(1-cyclohexylpropyl)-2,5-dihydroxybenzamide
PubChem CID107722905
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-(1-cyclohexylpropyl)-2,5-dihydroxybenzamide
SMILESCCC(NC(=O)c1cc(O)ccc1O)C1CCCCC1
InChIInChI=1S/C16H23NO3/c1-2-14(11-6-4-3-5-7-11)17-16(20)13-10-12(18)8-9-15(13)19/h8-11,14,18-19H,2-7H2,1H3,(H,17,20)
InChIKeyYLYJVASFABDDCL-UHFFFAOYSA-N
XLogP3.19
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide
CID 107725268
N-(1-cyclohexylpropyl)-2-hydroxy-4-methylbenzamide
CID 63527141
N-(1-cyclohexylpropyl)-2-sulfanylbenzamide
CID 107028366
N-(1-cyclohexylpropyl)-2-hydrazinyl-5-methylbenzamide
CID 62512835
N-(2-amino-1-cyclopentylethyl)-5-chloro-2-hydroxybenzamide
CID 106737723
5-chloro-N-(1-cyclohexylpropyl)-2-(methylamino)benzamide
CID 63499195
N-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide
CID 105381145
N-(1-cyclohexylpropyl)-3,4,5-trifluorobenzamide
CID 63189612
N-(1-cyclohexylpropyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765034
4-carbamothioyl-N-(1-cyclohexylpropyl)benzamide
CID 62405626
N-[(1R)-1-cyclohexylpropyl]-1,5-dimethylpyrazole-4-carboxamide
CID 95288937
2,5-dihydroxy-N-(1-phenylpropyl)benzamide
CID 107722884

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpropyl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(1-cyclohexylpropyl)-2,5-dihydroxybenzamide (CID 107722905) is N-(1-cyclohexylpropyl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(1-cyclohexylpropyl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(1-cyclohexylpropyl)-2,5-dihydroxybenzamide is CCC(NC(=O)c1cc(O)ccc1O)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylpropyl)-2,5-dihydroxybenzamide?
The InChIKey is YLYJVASFABDDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-14(11-6-4-3-5-7-11)17-16(20)13-10-12(18)8-9-15(13)19/h8-11,14,18-19H,2-7H2,1H3,(H,17,20).
What are the key properties of N-(1-cyclohexylpropyl)-2,5-dihydroxybenzamide?
N-(1-cyclohexylpropyl)-2,5-dihydroxybenzamide has a molecular weight of 277.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpropyl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 107722905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).