N-decyl-3,4,5-trimethoxybenzamide

C20H33NO4 — CID 5067444

IUPACN-decyl-3,4,5-trimethoxybenzamide
SMILESCCCCCCCCCCNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H33NO4/c1-5-6-7-8-9-10-11-12-13-21-20(22)16-14-17(23-2)19(25-4)18(15-16)24-3/h14-15H,5-13H2,1-4H3,(H,21,22)
InChIKeyHODUWGAVGNWCPS-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.58
Rot. Bonds13

About N-decyl-3,4,5-trimethoxybenzamide

N-decyl-3,4,5-trimethoxybenzamide (PubChem CID 5067444) has the molecular formula C20H33NO4 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-decyl-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-decyl-3,4,5-trimethoxybenzamide
PubChem CID5067444
Molecular FormulaC20H33NO4
Molecular Weight351.49 g/mol
Exact Mass351.24
IUPAC NameN-decyl-3,4,5-trimethoxybenzamide
SMILESCCCCCCCCCCNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H33NO4/c1-5-6-7-8-9-10-11-12-13-21-20(22)16-14-17(23-2)19(25-4)18(15-16)24-3/h14-15H,5-13H2,1-4H3,(H,21,22)
InChIKeyHODUWGAVGNWCPS-UHFFFAOYSA-N
XLogP4.58
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.58
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

4-bromo-N-hexyl-3,5-dimethoxybenzamide
CID 32646709
8-[(3,4,5-trimethoxybenzoyl)amino]octanoic acid
CID 22040273
6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid
CID 30627
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
CID 5235271
N-hexyl-4-hydroxy-3-methoxybenzamide
CID 177108145
dimethyl-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]azanium
CID 2315963
methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide
CID 107318683
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157
N-(4-bromopentyl)-3,4,5-trimethoxybenzamide
CID 106131338

Frequently Asked Questions

What is the IUPAC name of N-decyl-3,4,5-trimethoxybenzamide?
The IUPAC name of N-decyl-3,4,5-trimethoxybenzamide (CID 5067444) is N-decyl-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-decyl-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-decyl-3,4,5-trimethoxybenzamide is CCCCCCCCCCNC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-decyl-3,4,5-trimethoxybenzamide?
The InChIKey is HODUWGAVGNWCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO4/c1-5-6-7-8-9-10-11-12-13-21-20(22)16-14-17(23-2)19(25-4)18(15-16)24-3/h14-15H,5-13H2,1-4H3,(H,21,22).
What are the key properties of N-decyl-3,4,5-trimethoxybenzamide?
N-decyl-3,4,5-trimethoxybenzamide has a molecular weight of 351.49 g/mol, XLogP of 4.58, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 5067444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).