3-(dimethylamino)-2-methyl-N-(oxan-4-yl)but-2-enamide

C12H22N2O2 — CID 123595878

IUPAC3-(dimethylamino)-2-methyl-N-(oxan-4-yl)but-2-enamide
SMILESCC(C(=O)NC1CCOCC1)=C(C)N(C)C
InChIInChI=1S/C12H22N2O2/c1-9(10(2)14(3)4)12(15)13-11-5-7-16-8-6-11/h11H,5-8H2,1-4H3,(H,13,15)
InChIKeyYBSLDAHEHQZHAB-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.14
Rot. Bonds3

About 3-(dimethylamino)-2-methyl-N-(oxan-4-yl)but-2-enamide

3-(dimethylamino)-2-methyl-N-(oxan-4-yl)but-2-enamide (PubChem CID 123595878) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(dimethylamino)-2-methyl-N-(oxan-4-yl)but-2-enamide.

Molecular Properties

Compound Name3-(dimethylamino)-2-methyl-N-(oxan-4-yl)but-2-enamide
PubChem CID123595878
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(dimethylamino)-2-methyl-N-(oxan-4-yl)but-2-enamide
SMILESCC(C(=O)NC1CCOCC1)=C(C)N(C)C
InChIInChI=1S/C12H22N2O2/c1-9(10(2)14(3)4)12(15)13-11-5-7-16-8-6-11/h11H,5-8H2,1-4H3,(H,13,15)
InChIKeyYBSLDAHEHQZHAB-UHFFFAOYSA-N
XLogP1.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,1-dimethyl-3-(oxolan-3-yl)urea
CID 110868817
2-[2-(dimethylcarbamoylamino)ethylamino]-N-(oxan-4-yl)acetamide
CID 83120793
N,N-dimethyl-2-(oxan-4-ylamino)acetamide
CID 43608629
1-cyclobutyl-3-(oxan-4-yl)urea
CID 115617670
1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea
CID 25073596
(E)-N-(oxan-4-yl)but-2-enamide
CID 118136876
(E)-2-(C,N-dimethylcarbonimidoyl)-N-(oxan-4-yl)pent-2-enamide
CID 123367278
2,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanoic acid
CID 82821366
(2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide
CID 61154415
N',N'-dimethyloxane-4-carbohydrazide
CID 116848029
2-methyl-3-(methylamino)-N-(oxan-4-yl)propanamide
CID 79195500
ethane;methyl N-(oxan-4-ylcarbamoyl)carbamate
CID 144904584

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-methyl-N-(oxan-4-yl)but-2-enamide?
The IUPAC name of 3-(dimethylamino)-2-methyl-N-(oxan-4-yl)but-2-enamide (CID 123595878) is 3-(dimethylamino)-2-methyl-N-(oxan-4-yl)but-2-enamide.
What is the SMILES notation for 3-(dimethylamino)-2-methyl-N-(oxan-4-yl)but-2-enamide?
The canonical SMILES for 3-(dimethylamino)-2-methyl-N-(oxan-4-yl)but-2-enamide is CC(C(=O)NC1CCOCC1)=C(C)N(C)C.
What is the InChIKey of 3-(dimethylamino)-2-methyl-N-(oxan-4-yl)but-2-enamide?
The InChIKey is YBSLDAHEHQZHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(10(2)14(3)4)12(15)13-11-5-7-16-8-6-11/h11H,5-8H2,1-4H3,(H,13,15).
What are the key properties of 3-(dimethylamino)-2-methyl-N-(oxan-4-yl)but-2-enamide?
3-(dimethylamino)-2-methyl-N-(oxan-4-yl)but-2-enamide has a molecular weight of 226.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-methyl-N-(oxan-4-yl)but-2-enamide is sourced from PubChem (CID 123595878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).