N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-(methylamino)benzamide

C14H20N2O3 — CID 62510212

IUPACN-(1,4-dioxan-2-ylmethyl)-5-methyl-2-(methylamino)benzamide
SMILESCNc1ccc(C)cc1C(=O)NCC1COCCO1
InChIInChI=1S/C14H20N2O3/c1-10-3-4-13(15-2)12(7-10)14(17)16-8-11-9-18-5-6-19-11/h3-4,7,11,15H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyLTOYCSVBBPDAIN-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.18
Rot. Bonds4

About N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-(methylamino)benzamide

N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-(methylamino)benzamide (PubChem CID 62510212) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-5-methyl-2-(methylamino)benzamide
PubChem CID62510212
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-5-methyl-2-(methylamino)benzamide
SMILESCNc1ccc(C)cc1C(=O)NCC1COCCO1
InChIInChI=1S/C14H20N2O3/c1-10-3-4-13(15-2)12(7-10)14(17)16-8-11-9-18-5-6-19-11/h3-4,7,11,15H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyLTOYCSVBBPDAIN-UHFFFAOYSA-N
XLogP1.18
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-(methylamino)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

N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-5-methylbenzamide
CID 62509083
N-(1,4-dioxan-2-ylmethyl)-2,4-dimethylbenzamide;ethane
CID 178150014
N-(1,4-dioxan-2-ylmethyl)-3-hydroxy-2-methylbenzamide
CID 82829560
5-methyl-N-(oxolan-2-ylmethyl)-2-(propylamino)benzamide
CID 62509999
N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
CID 54908963
N-(1,4-dioxan-2-ylmethyl)-5-fluoro-2-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 71938305
4-chloro-N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
CID 54908530
5-amino-2-(dimethylamino)-N-(1,4-dioxan-2-ylmethyl)benzamide
CID 61102161
5-methyl-2-(methylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586242
2-[2-[[(2R)-1,4-dioxan-2-yl]methylcarbamoyl]phenyl]benzoic acid
CID 125120548
N-(1,4-dioxan-2-ylmethyl)-3,4-dihydroxybenzamide
CID 113358419
5-methyl-2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62523940

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-(methylamino)benzamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-(methylamino)benzamide (CID 62510212) is N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-(methylamino)benzamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-(methylamino)benzamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-(methylamino)benzamide is CNc1ccc(C)cc1C(=O)NCC1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-(methylamino)benzamide?
The InChIKey is LTOYCSVBBPDAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-3-4-13(15-2)12(7-10)14(17)16-8-11-9-18-5-6-19-11/h3-4,7,11,15H,5-6,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-(methylamino)benzamide?
N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-(methylamino)benzamide has a molecular weight of 264.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-(methylamino)benzamide is sourced from PubChem (CID 62510212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).