2,2-dimethyl-3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide

C25H41NO5 — CID 10048615

IUPAC2,2-dimethyl-3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide
SMILESCCCCCCCCCCCC(=O)C(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C25H41NO5/c1-7-8-9-10-11-12-13-14-15-16-22(27)25(2,3)24(28)26-23-20(30-5)17-19(29-4)18-21(23)31-6/h17-18H,7-16H2,1-6H3,(H,26,28)
InChIKeyIBABLALBTRLAOY-UHFFFAOYSA-N
MW435.61 g/mol
LogP6.17
Rot. Bonds16

About 2,2-dimethyl-3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide

2,2-dimethyl-3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide (PubChem CID 10048615) has the molecular formula C25H41NO5 and a molecular weight of 435.61 g/mol. Its IUPAC name is 2,2-dimethyl-3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide
PubChem CID10048615
Molecular FormulaC25H41NO5
Molecular Weight435.61 g/mol
Exact Mass435.30
IUPAC Name2,2-dimethyl-3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide
SMILESCCCCCCCCCCCC(=O)C(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C25H41NO5/c1-7-8-9-10-11-12-13-14-15-16-22(27)25(2,3)24(28)26-23-20(30-5)17-19(29-4)18-21(23)31-6/h17-18H,7-16H2,1-6H3,(H,26,28)
InChIKeyIBABLALBTRLAOY-UHFFFAOYSA-N
XLogP6.17
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.61
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide?
The IUPAC name of 2,2-dimethyl-3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide (CID 10048615) is 2,2-dimethyl-3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide.
What is the SMILES notation for 2,2-dimethyl-3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide?
The canonical SMILES for 2,2-dimethyl-3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide is CCCCCCCCCCCC(=O)C(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC.
What is the InChIKey of 2,2-dimethyl-3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide?
The InChIKey is IBABLALBTRLAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41NO5/c1-7-8-9-10-11-12-13-14-15-16-22(27)25(2,3)24(28)26-23-20(30-5)17-19(29-4)18-21(23)31-6/h17-18H,7-16H2,1-6H3,(H,26,28).
What are the key properties of 2,2-dimethyl-3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide?
2,2-dimethyl-3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide has a molecular weight of 435.61 g/mol, XLogP of 6.17, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide is sourced from PubChem (CID 10048615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).