2-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methoxy-N-methylpropanamide

C11H21NO4 — CID 166447412

IUPAC2-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)C(C)C1COC(C)(C)OC1
InChIInChI=1S/C11H21NO4/c1-8(10(13)12(4)14-5)9-6-15-11(2,3)16-7-9/h8-9H,6-7H2,1-5H3
InChIKeyXIGWZIXCGOBJQN-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.04
Rot. Bonds3

About 2-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methoxy-N-methylpropanamide

2-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methoxy-N-methylpropanamide (PubChem CID 166447412) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name2-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methoxy-N-methylpropanamide
PubChem CID166447412
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)C(C)C1COC(C)(C)OC1
InChIInChI=1S/C11H21NO4/c1-8(10(13)12(4)14-5)9-6-15-11(2,3)16-7-9/h8-9H,6-7H2,1-5H3
InChIKeyXIGWZIXCGOBJQN-UHFFFAOYSA-N
XLogP1.04
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methoxy-N-methyl-2-phenylmethoxyacetamide
CID 101470087
ethane;N-methoxy-N,2,2-trimethyl-3-phosphanyl-1,3-oxazolidine-4-carboxamide
CID 142567323
(2R,3R)-2,3-dihydroxy-N-methoxy-N-methyl-4-oxopentanamide
CID 134856365
[(1S)-1-cyclopropyl-2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid
CID 172789959
(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-methoxy-N-methylpropanamide
CID 142752025
N-methoxy-N,2,4-trimethylpentanamide
CID 161245608
methane;(2S)-N-methoxy-N-methyl-2-(methylamino)propanamide;(2R)-N-methoxy-N-methyl-2-(methylamino)propanamide
CID 158882203
(2R,3R,4R)-3-hydroxy-N,N,2-trimethyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentanamide
CID 25140404
(4R)-N-methoxy-N,2,2,5,5-pentamethyl-4-propan-2-yl-1,3-dioxolane-4-carboxamide
CID 87466441
4-[1-[ethoxy(methyl)amino]-1-oxopropan-2-yl]piperidine-1-carboxylic acid
CID 87487604
5-methoxy-2,2-dimethyl-1,3-dioxane
CID 59156430
methyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate
CID 130024154

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methoxy-N-methylpropanamide?
The IUPAC name of 2-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methoxy-N-methylpropanamide (CID 166447412) is 2-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methoxy-N-methylpropanamide.
What is the SMILES notation for 2-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methoxy-N-methylpropanamide?
The canonical SMILES for 2-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methoxy-N-methylpropanamide is CON(C)C(=O)C(C)C1COC(C)(C)OC1.
What is the InChIKey of 2-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methoxy-N-methylpropanamide?
The InChIKey is XIGWZIXCGOBJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(10(13)12(4)14-5)9-6-15-11(2,3)16-7-9/h8-9H,6-7H2,1-5H3.
What are the key properties of 2-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methoxy-N-methylpropanamide?
2-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methoxy-N-methylpropanamide has a molecular weight of 231.29 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 166447412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).