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

C25H43NO5 — CID 19788185

IUPACN-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1c(C)c(O)c(OC)c(OC)c1O
InChIInChI=1S/C25H43NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(27)26-21-19(2)22(28)24(30-3)25(31-4)23(21)29/h28-29H,5-18H2,1-4H3,(H,26,27)
InChIKeyKSBLCPOGCAKDSU-UHFFFAOYSA-N
MW437.62 g/mol
LogP6.84
Rot. Bonds17

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

N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)hexadecanamide (PubChem CID 19788185) has the molecular formula C25H43NO5 and a molecular weight of 437.62 g/mol. Its IUPAC name is N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)hexadecanamide.

Molecular Properties

Compound NameN-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)hexadecanamide
PubChem CID19788185
Molecular FormulaC25H43NO5
Molecular Weight437.62 g/mol
Exact Mass437.31
IUPAC NameN-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1c(C)c(O)c(OC)c(OC)c1O
InChIInChI=1S/C25H43NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(27)26-21-19(2)22(28)24(30-3)25(31-4)23(21)29/h28-29H,5-18H2,1-4H3,(H,26,27)
InChIKeyKSBLCPOGCAKDSU-UHFFFAOYSA-N
XLogP6.84
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.62
LogP ≤ 56.84
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'}

Analyze N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)hexadecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)octadecanamide
CID 19788230
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)hexadecanamide?
The IUPAC name of N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)hexadecanamide (CID 19788185) is N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)hexadecanamide.
What is the SMILES notation for N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)hexadecanamide?
The canonical SMILES for N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)hexadecanamide is CCCCCCCCCCCCCCCC(=O)Nc1c(C)c(O)c(OC)c(OC)c1O.
What is the InChIKey of N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)hexadecanamide?
The InChIKey is KSBLCPOGCAKDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(27)26-21-19(2)22(28)24(30-3)25(31-4)23(21)29/h28-29H,5-18H2,1-4H3,(H,26,27).
What are the key properties of N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)hexadecanamide?
N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)hexadecanamide has a molecular weight of 437.62 g/mol, XLogP of 6.84, 17 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)hexadecanamide is sourced from PubChem (CID 19788185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).