3-[2-(1,3-dioxan-2-yl)ethyl-methylamino]-N-methylpropanamide

C11H22N2O3 — CID 103746441

IUPAC3-[2-(1,3-dioxan-2-yl)ethyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)CCC1OCCCO1
InChIInChI=1S/C11H22N2O3/c1-12-10(14)4-6-13(2)7-5-11-15-8-3-9-16-11/h11H,3-9H2,1-2H3,(H,12,14)
InChIKeyQLBWCSBBYOJAHF-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.21
Rot. Bonds6

About 3-[2-(1,3-dioxan-2-yl)ethyl-methylamino]-N-methylpropanamide

3-[2-(1,3-dioxan-2-yl)ethyl-methylamino]-N-methylpropanamide (PubChem CID 103746441) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[2-(1,3-dioxan-2-yl)ethyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-(1,3-dioxan-2-yl)ethyl-methylamino]-N-methylpropanamide
PubChem CID103746441
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[2-(1,3-dioxan-2-yl)ethyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)CCC1OCCCO1
InChIInChI=1S/C11H22N2O3/c1-12-10(14)4-6-13(2)7-5-11-15-8-3-9-16-11/h11H,3-9H2,1-2H3,(H,12,14)
InChIKeyQLBWCSBBYOJAHF-UHFFFAOYSA-N
XLogP0.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1,3-dioxan-2-yl)ethyl-methylamino]ethanol
CID 66472112
3-[2-aminoethyl(methyl)amino]-N-methylpropanamide
CID 58105370
2-(1,3-dioxan-2-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanamine
CID 66473524
N-[(4-chlorophenyl)methyl]-2-(1,3-dioxan-2-yl)-N-methylethanamine
CID 66472313
3-[(2-cyclohexyl-2-oxoethyl)-methylamino]-N-methylpropanamide
CID 106916459
3-[4-aminobutyl(methyl)amino]-N-methylpropanamide
CID 106914832
N-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide
CID 106915767
N-methyl-3-[methyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106613819
5-(1,3-dioxan-2-yl)pentan-2-one
CID 174893387
2-(1,3-dioxan-2-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 66474937
N-methyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide
CID 86582866
N-(3-acetamidophenyl)-3-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]propanamide
CID 124749501

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-dioxan-2-yl)ethyl-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[2-(1,3-dioxan-2-yl)ethyl-methylamino]-N-methylpropanamide (CID 103746441) is 3-[2-(1,3-dioxan-2-yl)ethyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[2-(1,3-dioxan-2-yl)ethyl-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[2-(1,3-dioxan-2-yl)ethyl-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)CCC1OCCCO1.
What is the InChIKey of 3-[2-(1,3-dioxan-2-yl)ethyl-methylamino]-N-methylpropanamide?
The InChIKey is QLBWCSBBYOJAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-12-10(14)4-6-13(2)7-5-11-15-8-3-9-16-11/h11H,3-9H2,1-2H3,(H,12,14).
What are the key properties of 3-[2-(1,3-dioxan-2-yl)ethyl-methylamino]-N-methylpropanamide?
3-[2-(1,3-dioxan-2-yl)ethyl-methylamino]-N-methylpropanamide has a molecular weight of 230.31 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-dioxan-2-yl)ethyl-methylamino]-N-methylpropanamide is sourced from PubChem (CID 103746441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).