N-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide

C15H22N2O3 — CID 107725268

IUPACN-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide
SMILESNCC(NC(=O)c1cc(O)ccc1O)C1CCCCC1
InChIInChI=1S/C15H22N2O3/c16-9-13(10-4-2-1-3-5-10)17-15(20)12-8-11(18)6-7-14(12)19/h6-8,10,13,18-19H,1-5,9,16H2,(H,17,20)
InChIKeyAOAKIEXRXQVCND-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.74
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide

N-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide (PubChem CID 107725268) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide
PubChem CID107725268
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide
SMILESNCC(NC(=O)c1cc(O)ccc1O)C1CCCCC1
InChIInChI=1S/C15H22N2O3/c16-9-13(10-4-2-1-3-5-10)17-15(20)12-8-11(18)6-7-14(12)19/h6-8,10,13,18-19H,1-5,9,16H2,(H,17,20)
InChIKeyAOAKIEXRXQVCND-UHFFFAOYSA-N
XLogP1.74
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclohexylpropyl)-2,5-dihydroxybenzamide
CID 107722905
N-(2-amino-1-cyclopentylethyl)-5-chloro-2-hydroxybenzamide
CID 106737723
N-(2-amino-1-cyclopentylethyl)-4-bromo-2-hydroxybenzamide
CID 106737241
N-(2-amino-1-cyclopropylethyl)-2-fluoro-4-hydroxybenzamide
CID 107677141
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide
CID 81487660
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
N-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide
CID 81486052
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide
CID 106862320
N-(2-amino-1-cyclohexylethyl)-2,5-dibromothiophene-3-carboxamide
CID 103807076
N-[2-(aminomethyl)cyclohexyl]-2,5-dihydroxybenzamide
CID 107725193
N-(2-amino-1-cyclopentylethyl)-4-fluoro-2-methylbenzamide
CID 106737696

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide (CID 107725268) is N-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide is NCC(NC(=O)c1cc(O)ccc1O)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide?
The InChIKey is AOAKIEXRXQVCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c16-9-13(10-4-2-1-3-5-10)17-15(20)12-8-11(18)6-7-14(12)19/h6-8,10,13,18-19H,1-5,9,16H2,(H,17,20).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide?
N-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 107725268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).