2,4-dihydroxy-N,6-dimethyl-3-(3-methylcyclohex-2-en-1-yl)benzamide

C16H21NO3 — CID 156715882

IUPAC2,4-dihydroxy-N,6-dimethyl-3-(3-methylcyclohex-2-en-1-yl)benzamide
SMILESCNC(=O)c1c(C)cc(O)c(C2C=C(C)CCC2)c1O
InChIInChI=1S/C16H21NO3/c1-9-5-4-6-11(7-9)14-12(18)8-10(2)13(15(14)19)16(20)17-3/h7-8,11,18-19H,4-6H2,1-3H3,(H,17,20)
InChIKeyQAUROAZMMUOKQQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.98
Rot. Bonds2

About 2,4-dihydroxy-N,6-dimethyl-3-(3-methylcyclohex-2-en-1-yl)benzamide

2,4-dihydroxy-N,6-dimethyl-3-(3-methylcyclohex-2-en-1-yl)benzamide (PubChem CID 156715882) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2,4-dihydroxy-N,6-dimethyl-3-(3-methylcyclohex-2-en-1-yl)benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N,6-dimethyl-3-(3-methylcyclohex-2-en-1-yl)benzamide
PubChem CID156715882
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2,4-dihydroxy-N,6-dimethyl-3-(3-methylcyclohex-2-en-1-yl)benzamide
SMILESCNC(=O)c1c(C)cc(O)c(C2C=C(C)CCC2)c1O
InChIInChI=1S/C16H21NO3/c1-9-5-4-6-11(7-9)14-12(18)8-10(2)13(15(14)19)16(20)17-3/h7-8,11,18-19H,4-6H2,1-3H3,(H,17,20)
InChIKeyQAUROAZMMUOKQQ-UHFFFAOYSA-N
XLogP2.98
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-[[2,4-dihydroxy-6-methyl-3-(3-methylcyclohex-2-en-1-yl)benzoyl]amino]-3-phenylpropanoate
CID 156715874
methyl 2,4-dihydroxy-3-(3-methylcyclohex-2-en-1-yl)-6-pentylbenzoate
CID 135244511
5-(2-hydroxyethyl)-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol
CID 164541251
ethane;5-methyl-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol;prop-1-ene
CID 172579088
2,4-dihydroxy-3-(3-methylcyclohex-2-en-1-yl)-6-pentylbenzamide;2,4-dihydroxy-3-(3-methylcyclohex-2-en-1-yl)-6-pentylbenzoic acid
CID 167689119
cyclopentanamine;N-cyclopentyl-2,4-dihydroxy-3-(3-methylcyclohex-2-en-1-yl)-6-pentylbenzamide;2,4-dihydroxy-3-(3-methylcyclohex-2-en-1-yl)-6-pentylbenzoic acid
CID 167656101
2-hydroxy-N,3,6-trimethylbenzamide
CID 89102657
2-(3-methylcyclohex-2-en-1-yl)-4-methylsulfonyl-5-pentylbenzene-1,3-diol
CID 155576080
1-[2,4-dimethyl-3-(3-methylcyclohex-2-en-1-yl)-6-propylphenyl]ethanone
CID 167097677
4-fluoro-2-[3-(hydroxymethyl)cyclohex-2-en-1-yl]-5-methylbenzene-1,3-diol
CID 178098764
[3-acetyloxy-5-methyl-2-(3-methylcyclohex-2-en-1-yl)phenyl] acetate
CID 155118823
2-amino-N-[2,4-dihydroxy-3-(3-methylcyclohex-2-en-1-yl)-6-pentylphenyl]sulfonylpropanamide
CID 155576141

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N,6-dimethyl-3-(3-methylcyclohex-2-en-1-yl)benzamide?
The IUPAC name of 2,4-dihydroxy-N,6-dimethyl-3-(3-methylcyclohex-2-en-1-yl)benzamide (CID 156715882) is 2,4-dihydroxy-N,6-dimethyl-3-(3-methylcyclohex-2-en-1-yl)benzamide.
What is the SMILES notation for 2,4-dihydroxy-N,6-dimethyl-3-(3-methylcyclohex-2-en-1-yl)benzamide?
The canonical SMILES for 2,4-dihydroxy-N,6-dimethyl-3-(3-methylcyclohex-2-en-1-yl)benzamide is CNC(=O)c1c(C)cc(O)c(C2C=C(C)CCC2)c1O.
What is the InChIKey of 2,4-dihydroxy-N,6-dimethyl-3-(3-methylcyclohex-2-en-1-yl)benzamide?
The InChIKey is QAUROAZMMUOKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-9-5-4-6-11(7-9)14-12(18)8-10(2)13(15(14)19)16(20)17-3/h7-8,11,18-19H,4-6H2,1-3H3,(H,17,20).
What are the key properties of 2,4-dihydroxy-N,6-dimethyl-3-(3-methylcyclohex-2-en-1-yl)benzamide?
2,4-dihydroxy-N,6-dimethyl-3-(3-methylcyclohex-2-en-1-yl)benzamide has a molecular weight of 275.35 g/mol, XLogP of 2.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N,6-dimethyl-3-(3-methylcyclohex-2-en-1-yl)benzamide is sourced from PubChem (CID 156715882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).