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

C23H37NO5 — CID 10386701

IUPAC3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide
SMILESCCCCCCCCCCCC(=O)CC(=O)Nc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C23H37NO5/c1-5-6-7-8-9-10-11-12-13-14-18(25)15-22(26)24-23-20(28-3)16-19(27-2)17-21(23)29-4/h16-17H,5-15H2,1-4H3,(H,24,26)
InChIKeyBVIOGTLXOGHMNX-UHFFFAOYSA-N
MW407.55 g/mol
LogP5.53
Rot. Bonds16

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

3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide (PubChem CID 10386701) has the molecular formula C23H37NO5 and a molecular weight of 407.55 g/mol. Its IUPAC name is 3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide.

Molecular Properties

Compound Name3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide
PubChem CID10386701
Molecular FormulaC23H37NO5
Molecular Weight407.55 g/mol
Exact Mass407.27
IUPAC Name3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide
SMILESCCCCCCCCCCCC(=O)CC(=O)Nc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C23H37NO5/c1-5-6-7-8-9-10-11-12-13-14-18(25)15-22(26)24-23-20(28-3)16-19(27-2)17-21(23)29-4/h16-17H,5-15H2,1-4H3,(H,24,26)
InChIKeyBVIOGTLXOGHMNX-UHFFFAOYSA-N
XLogP5.53
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.55
LogP ≤ 55.53
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 3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide?
The IUPAC name of 3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide (CID 10386701) is 3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide.
What is the SMILES notation for 3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide?
The canonical SMILES for 3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide is CCCCCCCCCCCC(=O)CC(=O)Nc1c(OC)cc(OC)cc1OC.
What is the InChIKey of 3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide?
The InChIKey is BVIOGTLXOGHMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO5/c1-5-6-7-8-9-10-11-12-13-14-18(25)15-22(26)24-23-20(28-3)16-19(27-2)17-21(23)29-4/h16-17H,5-15H2,1-4H3,(H,24,26).
What are the key properties of 3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide?
3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide has a molecular weight of 407.55 g/mol, XLogP of 5.53, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(2,4,6-trimethoxyphenyl)tetradecanamide is sourced from PubChem (CID 10386701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).