4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-N-methylbenzamide

C15H22N2O3 — CID 104588896

IUPAC4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC2COC(C)(C)OC2)cc1
InChIInChI=1S/C15H22N2O3/c1-15(2)19-9-13(10-20-15)17-8-11-4-6-12(7-5-11)14(18)16-3/h4-7,13,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyYUTIXFWPQHQGEY-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.29
Rot. Bonds4

About 4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-N-methylbenzamide

4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-N-methylbenzamide (PubChem CID 104588896) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-N-methylbenzamide
PubChem CID104588896
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC2COC(C)(C)OC2)cc1
InChIInChI=1S/C15H22N2O3/c1-15(2)19-9-13(10-20-15)17-8-11-4-6-12(7-5-11)14(18)16-3/h4-7,13,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyYUTIXFWPQHQGEY-UHFFFAOYSA-N
XLogP1.29
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 79358376
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4-[[(5,5-dimethylthian-3-yl)amino]methyl]-N-methylbenzamide
CID 79955054
4-[[(1,1-dioxothian-4-yl)amino]methyl]-N-methylbenzamide
CID 43511571
4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]benzenesulfonamide
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4-[[(3-aminocyclopentyl)amino]methyl]-N-methylbenzamide
CID 79462597
4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide
CID 112553050
4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide
CID 28620099
tert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate
CID 113247798
4-[[[(3S)-1,4-dioxaspiro[4.6]undecan-3-yl]methylamino]methyl]-N-methylbenzamide
CID 97338254
N-methyl-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzamide
CID 78849595
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-N-methylbenzamide (CID 104588896) is 4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNC2COC(C)(C)OC2)cc1.
What is the InChIKey of 4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-N-methylbenzamide?
The InChIKey is YUTIXFWPQHQGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2)19-9-13(10-20-15)17-8-11-4-6-12(7-5-11)14(18)16-3/h4-7,13,17H,8-10H2,1-3H3,(H,16,18).
What are the key properties of 4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-N-methylbenzamide?
4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-N-methylbenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 104588896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).