2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide

C29H51NO4 — CID 14276081

IUPAC2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C29H51NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29(2,3)28(31)30-27-25(33-5)22-24(32-4)23-26(27)34-6/h22-23H,7-21H2,1-6H3,(H,30,31)
InChIKeySNRXHHCLJULQQR-UHFFFAOYSA-N
MW477.73 g/mol
LogP8.55
Rot. Bonds20

About 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide

2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide (PubChem CID 14276081) has the molecular formula C29H51NO4 and a molecular weight of 477.73 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide
PubChem CID14276081
Molecular FormulaC29H51NO4
Molecular Weight477.73 g/mol
Exact Mass477.38
IUPAC Name2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C29H51NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29(2,3)28(31)30-27-25(33-5)22-24(32-4)23-26(27)34-6/h22-23H,7-21H2,1-6H3,(H,30,31)
InChIKeySNRXHHCLJULQQR-UHFFFAOYSA-N
XLogP8.55
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.73
LogP ≤ 58.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]-2,2-dimethyldodecanamide
CID 153288461
2-(2-dodecyltetrazol-5-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide
CID 10163395
(E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide
CID 67862538
(Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide
CID 14157095
2,2-bis(methylsulfonyl)-2-(2-tridecyltetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide
CID 142649569
2-(4-tert-butylphenyl)sulfanyl-N-(2,4,6-trimethoxyphenyl)octanamide
CID 14995488
2-dodecyl-N-(2,4,6-trimethoxyphenyl)tetrazole-5-carboxamide
CID 11797683
1-(2,4,6-trimethoxyphenyl)dodecan-1-one
CID 11617254
(2,4,6-trimethoxyphenyl)carbamothioic S-acid
CID 115169717
N-(2,4,6-trimethoxyphenyl)hexadecane-1-sulfonamide
CID 10367516
N-hydroxy-2,2-dimethylheptadecanamide
CID 138558717
N,2,2-trimethyloctadecanamide
CID 158817445

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide?
The IUPAC name of 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide (CID 14276081) is 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide?
The canonical SMILES for 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide is CCCCCCCCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC.
What is the InChIKey of 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide?
The InChIKey is SNRXHHCLJULQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H51NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29(2,3)28(31)30-27-25(33-5)22-24(32-4)23-26(27)34-6/h22-23H,7-21H2,1-6H3,(H,30,31).
What are the key properties of 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide?
2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide has a molecular weight of 477.73 g/mol, XLogP of 8.55, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide is sourced from PubChem (CID 14276081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).