4-decoxy-3,5-dimethoxybenzamide

C19H31NO4 — CID 26929

💊View drug profile → decimemide
IUPAC4-decoxy-3,5-dimethoxybenzamide
SMILESCCCCCCCCCCOc1c(OC)cc(C(N)=O)cc1OC
InChIInChI=1S/C19H31NO4/c1-4-5-6-7-8-9-10-11-12-24-18-16(22-2)13-15(19(20)21)14-17(18)23-3/h13-14H,4-12H2,1-3H3,(H2,20,21)
InChIKeyREYUZOLYIOQRIG-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.32
Rot. Bonds13

About 4-decoxy-3,5-dimethoxybenzamide

4-decoxy-3,5-dimethoxybenzamide (PubChem CID 26929) has the molecular formula C19H31NO4 and a molecular weight of 337.46 g/mol. Its IUPAC name is 4-decoxy-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-decoxy-3,5-dimethoxybenzamide
PubChem CID26929
Molecular FormulaC19H31NO4
Molecular Weight337.46 g/mol
Exact Mass337.23
IUPAC Name4-decoxy-3,5-dimethoxybenzamide
SMILESCCCCCCCCCCOc1c(OC)cc(C(N)=O)cc1OC
InChIInChI=1S/C19H31NO4/c1-4-5-6-7-8-9-10-11-12-24-18-16(22-2)13-15(19(20)21)14-17(18)23-3/h13-14H,4-12H2,1-3H3,(H2,20,21)
InChIKeyREYUZOLYIOQRIG-UHFFFAOYSA-N
XLogP4.32
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.32
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

Trimethobenzamide
CID 5577
Trimethobenzamide Hydrochloride
CID 68385
Opiranserin
CID 71566778
3,4,5-Trimethoxybenzamide
CID 18334
4-Hydroxy-3,5-dimethoxybenzamide
CID 76522
Trocimine
CID 26650
1-(3,4,5-Trimethoxyphenyl)-1-propanone
CID 200101
3,4-Dimethoxybenzamide
CID 73705
2,3-Dihydro-1,4-benzodioxine-6-carboxamide
CID 659279
3,5-Dimethoxybenzamide
CID 72878
3,4,5-Trimethoxybenzohydrazide
CID 76793
3,5-Dimethoxy-4-[(3-methylbut-2-en-1-yl)oxy]benzaldehyde
CID 24094153

Frequently Asked Questions

What is the IUPAC name of 4-decoxy-3,5-dimethoxybenzamide?
The IUPAC name of 4-decoxy-3,5-dimethoxybenzamide (CID 26929) is 4-decoxy-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-decoxy-3,5-dimethoxybenzamide?
The canonical SMILES for 4-decoxy-3,5-dimethoxybenzamide is CCCCCCCCCCOc1c(OC)cc(C(N)=O)cc1OC.
What is the InChIKey of 4-decoxy-3,5-dimethoxybenzamide?
The InChIKey is REYUZOLYIOQRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO4/c1-4-5-6-7-8-9-10-11-12-24-18-16(22-2)13-15(19(20)21)14-17(18)23-3/h13-14H,4-12H2,1-3H3,(H2,20,21).
What are the key properties of 4-decoxy-3,5-dimethoxybenzamide?
4-decoxy-3,5-dimethoxybenzamide has a molecular weight of 337.46 g/mol, XLogP of 4.32, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decoxy-3,5-dimethoxybenzamide is sourced from PubChem (CID 26929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).