N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)octadecanamide

C27H47NO5 — CID 19788230

IUPACN-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)Nc1c(C)c(O)c(OC)c(OC)c1O
InChIInChI=1S/C27H47NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(29)28-23-21(2)24(30)26(32-3)27(33-4)25(23)31/h30-31H,5-20H2,1-4H3,(H,28,29)
InChIKeyRHUVYRDWMSEKEV-UHFFFAOYSA-N
MW465.68 g/mol
LogP7.62
Rot. Bonds19

About N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)octadecanamide

N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)octadecanamide (PubChem CID 19788230) has the molecular formula C27H47NO5 and a molecular weight of 465.68 g/mol. Its IUPAC name is N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)octadecanamide.

Molecular Properties

Compound NameN-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)octadecanamide
PubChem CID19788230
Molecular FormulaC27H47NO5
Molecular Weight465.68 g/mol
Exact Mass465.35
IUPAC NameN-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)Nc1c(C)c(O)c(OC)c(OC)c1O
InChIInChI=1S/C27H47NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(29)28-23-21(2)24(30)26(32-3)27(33-4)25(23)31/h30-31H,5-20H2,1-4H3,(H,28,29)
InChIKeyRHUVYRDWMSEKEV-UHFFFAOYSA-N
XLogP7.62
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.68
LogP ≤ 57.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)hexadecanamide
CID 19788185
N-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide
CID 19788212
N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide
CID 100965559
N-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide
CID 101068768
N-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide
CID 101068763
N-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide
CID 19788174
N-(2,3,4,5,6-pentafluorophenyl)undecanamide
CID 3554716
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
N-(3-amino-2,6-dimethylphenyl)decanamide
CID 65448531
N-decanoyldecanamide
CID 87914075
(E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide
CID 67862538
(Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide
CID 14157095

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)octadecanamide?
The IUPAC name of N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)octadecanamide (CID 19788230) is N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)octadecanamide.
What is the SMILES notation for N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)octadecanamide?
The canonical SMILES for N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)Nc1c(C)c(O)c(OC)c(OC)c1O.
What is the InChIKey of N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)octadecanamide?
The InChIKey is RHUVYRDWMSEKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H47NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(29)28-23-21(2)24(30)26(32-3)27(33-4)25(23)31/h30-31H,5-20H2,1-4H3,(H,28,29).
What are the key properties of N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)octadecanamide?
N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)octadecanamide has a molecular weight of 465.68 g/mol, XLogP of 7.62, 19 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)octadecanamide is sourced from PubChem (CID 19788230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).