N-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]-2,2-dimethyldodecanamide

C23H39NO4 — CID 153288461

IUPACN-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]-2,2-dimethyldodecanamide
SMILESCCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(CO)cc1OC
InChIInChI=1S/C23H39NO4/c1-6-7-8-9-10-11-12-13-14-23(2,3)22(26)24-21-19(27-4)15-18(17-25)16-20(21)28-5/h15-16,25H,6-14,17H2,1-5H3,(H,24,26)
InChIKeyJRJLAIAUUWCMNH-UHFFFAOYSA-N
MW393.57 g/mol
LogP5.69
Rot. Bonds14

About N-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]-2,2-dimethyldodecanamide

N-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]-2,2-dimethyldodecanamide (PubChem CID 153288461) has the molecular formula C23H39NO4 and a molecular weight of 393.57 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]-2,2-dimethyldodecanamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]-2,2-dimethyldodecanamide
PubChem CID153288461
Molecular FormulaC23H39NO4
Molecular Weight393.57 g/mol
Exact Mass393.29
IUPAC NameN-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]-2,2-dimethyldodecanamide
SMILESCCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(CO)cc1OC
InChIInChI=1S/C23H39NO4/c1-6-7-8-9-10-11-12-13-14-23(2,3)22(26)24-21-19(27-4)15-18(17-25)16-20(21)28-5/h15-16,25H,6-14,17H2,1-5H3,(H,24,26)
InChIKeyJRJLAIAUUWCMNH-UHFFFAOYSA-N
XLogP5.69
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.57
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide
CID 14276081
(4-heptoxy-3,5-dimethoxyphenyl)methanol
CID 43516772
N-hydroxy-2,2-dimethylheptadecanamide
CID 138558717
N,2,2-trimethyloctadecanamide
CID 158817445
(E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide
CID 67862538
(Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide
CID 14157095
2,2-dimethyl-N-oxidodecanamide
CID 141061443
azanium methyl 2,2-dimethyloctadecanoate
CID 22238515
2,6-dimethoxy-4-(2-methyloctan-2-yl)benzoyl chloride
CID 170928722
2-(2-dodecyltetrazol-5-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide
CID 10163395
(3-hexoxy-4-methoxyphenyl)methanol
CID 29006684
N-ethyl-2,2-dimethylheptanamide
CID 168939290

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]-2,2-dimethyldodecanamide?
The IUPAC name of N-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]-2,2-dimethyldodecanamide (CID 153288461) is N-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]-2,2-dimethyldodecanamide.
What is the SMILES notation for N-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]-2,2-dimethyldodecanamide?
The canonical SMILES for N-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]-2,2-dimethyldodecanamide is CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(CO)cc1OC.
What is the InChIKey of N-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]-2,2-dimethyldodecanamide?
The InChIKey is JRJLAIAUUWCMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO4/c1-6-7-8-9-10-11-12-13-14-23(2,3)22(26)24-21-19(27-4)15-18(17-25)16-20(21)28-5/h15-16,25H,6-14,17H2,1-5H3,(H,24,26).
What are the key properties of N-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]-2,2-dimethyldodecanamide?
N-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]-2,2-dimethyldodecanamide has a molecular weight of 393.57 g/mol, XLogP of 5.69, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]-2,2-dimethyldodecanamide is sourced from PubChem (CID 153288461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).