3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide

C14H22N2O4 — CID 103512763

IUPAC3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide
SMILESCNC(C)CNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H22N2O4/c1-9(15-2)8-16-14(17)10-6-11(18-3)13(20-5)12(7-10)19-4/h6-7,9,15H,8H2,1-5H3,(H,16,17)
InChIKeyVSQNYYBUCMRQOK-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.05
Rot. Bonds7

About 3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide

3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide (PubChem CID 103512763) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide
PubChem CID103512763
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide
SMILESCNC(C)CNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H22N2O4/c1-9(15-2)8-16-14(17)10-6-11(18-3)13(20-5)12(7-10)19-4/h6-7,9,15H,8H2,1-5H3,(H,16,17)
InChIKeyVSQNYYBUCMRQOK-UHFFFAOYSA-N
XLogP1.05
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethoxy-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829740
N-(3-amino-2-hydroxy-3-oxopropyl)-3,4,5-trimethoxybenzamide
CID 107261003
3-methoxy-N-[2-(methylamino)propyl]-4-(2-methylpropoxy)benzamide;hydrochloride
CID 120829798
3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502315
3,4,5-trimethoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
CID 110402980
3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120832066
4,5-dimethoxy-2-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120827462
methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
N-(4-bromobutan-2-yl)-3,4,5-trimethoxybenzamide
CID 83178838
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157
N-(4-bromopentyl)-3,4,5-trimethoxybenzamide
CID 106131338
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide (CID 103512763) is 3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide is CNC(C)CNC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide?
The InChIKey is VSQNYYBUCMRQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9(15-2)8-16-14(17)10-6-11(18-3)13(20-5)12(7-10)19-4/h6-7,9,15H,8H2,1-5H3,(H,16,17).
What are the key properties of 3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide?
3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide has a molecular weight of 282.34 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide is sourced from PubChem (CID 103512763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).