N-cyclohexyl-2,6-dihydroxy-4-(2-methyloctan-2-yl)benzamide

C22H35NO3 — CID 164538930

IUPACN-cyclohexyl-2,6-dihydroxy-4-(2-methyloctan-2-yl)benzamide
SMILESCCCCCCC(C)(C)c1cc(O)c(C(=O)NC2CCCCC2)c(O)c1
InChIInChI=1S/C22H35NO3/c1-4-5-6-10-13-22(2,3)16-14-18(24)20(19(25)15-16)21(26)23-17-11-8-7-9-12-17/h14-15,17,24-25H,4-13H2,1-3H3,(H,23,26)
InChIKeyMBIALCQAWHEZFJ-UHFFFAOYSA-N
MW361.53 g/mol
LogP5.41
Rot. Bonds8

About N-cyclohexyl-2,6-dihydroxy-4-(2-methyloctan-2-yl)benzamide

N-cyclohexyl-2,6-dihydroxy-4-(2-methyloctan-2-yl)benzamide (PubChem CID 164538930) has the molecular formula C22H35NO3 and a molecular weight of 361.53 g/mol. Its IUPAC name is N-cyclohexyl-2,6-dihydroxy-4-(2-methyloctan-2-yl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2,6-dihydroxy-4-(2-methyloctan-2-yl)benzamide
PubChem CID164538930
Molecular FormulaC22H35NO3
Molecular Weight361.53 g/mol
Exact Mass361.26
IUPAC NameN-cyclohexyl-2,6-dihydroxy-4-(2-methyloctan-2-yl)benzamide
SMILESCCCCCCC(C)(C)c1cc(O)c(C(=O)NC2CCCCC2)c(O)c1
InChIInChI=1S/C22H35NO3/c1-4-5-6-10-13-22(2,3)16-14-18(24)20(19(25)15-16)21(26)23-17-11-8-7-9-12-17/h14-15,17,24-25H,4-13H2,1-3H3,(H,23,26)
InChIKeyMBIALCQAWHEZFJ-UHFFFAOYSA-N
XLogP5.41
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-5-(2-methyloctan-2-yl)benzene-1,3-diol
CID 21087760
2-(4-cyclohexylcyclohexyl)-5-(2-methylhexan-2-yl)benzene-1,3-diol
CID 71664628
N-cyclohexyl-4-[2-(4-fluorophenyl)propan-2-yl]-2,6-dihydroxybenzamide
CID 164538947
9-hydroxy-7-(2-methyloctan-2-yl)-2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-one
CID 57434787
(1R,3R,4R)-3-[2,6-dihydroxy-4-(2-methyloctan-2-yl)phenyl]-4-prop-1-en-2-ylcyclohexane-1-carboxamide
CID 90128567
2-(4-cyclohexylcyclohexyl)-3-methoxy-5-(2-methylhexan-2-yl)phenol
CID 71712031
2-(4-hydroxy-3-methylcyclohex-2-en-1-yl)-5-(2-methyloctan-2-yl)benzene-1,3-diol;propane
CID 145231065
3-[2,6-dihydroxy-4-(2-methyloctan-2-yl)phenyl]-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 53237275
9-hydroxy-7-(2-methylheptan-2-yl)-2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-one
CID 12000974
2-[(1S)-3-(ethoxyamino)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
CID 155332977
5-(2-methylheptan-2-yl)benzene-1,3-diol
CID 12713057
5,11,17,23,29,35,41,47-octakis(2-methyltridecan-2-yl)nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol
CID 100978630

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,6-dihydroxy-4-(2-methyloctan-2-yl)benzamide?
The IUPAC name of N-cyclohexyl-2,6-dihydroxy-4-(2-methyloctan-2-yl)benzamide (CID 164538930) is N-cyclohexyl-2,6-dihydroxy-4-(2-methyloctan-2-yl)benzamide.
What is the SMILES notation for N-cyclohexyl-2,6-dihydroxy-4-(2-methyloctan-2-yl)benzamide?
The canonical SMILES for N-cyclohexyl-2,6-dihydroxy-4-(2-methyloctan-2-yl)benzamide is CCCCCCC(C)(C)c1cc(O)c(C(=O)NC2CCCCC2)c(O)c1.
What is the InChIKey of N-cyclohexyl-2,6-dihydroxy-4-(2-methyloctan-2-yl)benzamide?
The InChIKey is MBIALCQAWHEZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO3/c1-4-5-6-10-13-22(2,3)16-14-18(24)20(19(25)15-16)21(26)23-17-11-8-7-9-12-17/h14-15,17,24-25H,4-13H2,1-3H3,(H,23,26).
What are the key properties of N-cyclohexyl-2,6-dihydroxy-4-(2-methyloctan-2-yl)benzamide?
N-cyclohexyl-2,6-dihydroxy-4-(2-methyloctan-2-yl)benzamide has a molecular weight of 361.53 g/mol, XLogP of 5.41, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,6-dihydroxy-4-(2-methyloctan-2-yl)benzamide is sourced from PubChem (CID 164538930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).