2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-ethylpropanamide

C11H22N2O3 — CID 106658204

IUPAC2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC1COC(C)(C)OC1
InChIInChI=1S/C11H22N2O3/c1-5-12-10(14)8(2)13-9-6-15-11(3,4)16-7-9/h8-9,13H,5-7H2,1-4H3,(H,12,14)
InChIKeyCXZVGTHKKNVJCU-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.25
Rot. Bonds4

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

2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-ethylpropanamide (PubChem CID 106658204) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-ethylpropanamide
PubChem CID106658204
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC1COC(C)(C)OC1
InChIInChI=1S/C11H22N2O3/c1-5-12-10(14)8(2)13-9-6-15-11(3,4)16-7-9/h8-9,13H,5-7H2,1-4H3,(H,12,14)
InChIKeyCXZVGTHKKNVJCU-UHFFFAOYSA-N
XLogP0.25
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-ethylpropanamide 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

2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-propylpropanamide
CID 106658282
N-(3-ethylpentan-2-yl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658781
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-2-methylpropanamide
CID 106658087
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]butanamide
CID 104585278
N-ethyl-2-[(1-ethylpiperidin-4-yl)amino]propanamide
CID 43400100
2-[(1,1-dioxothiolan-3-yl)amino]-N-ethylpropanamide
CID 43085824
N-ethyl-2-[(1-propylpiperidin-4-yl)amino]propanamide
CID 43400111
2-[(3-aminocyclohexyl)amino]-N-ethylpropanamide
CID 79459315
N-ethyl-2-[(1-ethylazepan-4-yl)amino]propanamide
CID 65074151
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-4-methylpentan-1-ol
CID 106348831
2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 83032742
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide
CID 106658128

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-ethylpropanamide (CID 106658204) is 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-ethylpropanamide is CCNC(=O)C(C)NC1COC(C)(C)OC1.
What is the InChIKey of 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-ethylpropanamide?
The InChIKey is CXZVGTHKKNVJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-12-10(14)8(2)13-9-6-15-11(3,4)16-7-9/h8-9,13H,5-7H2,1-4H3,(H,12,14).
What are the key properties of 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-ethylpropanamide?
2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-ethylpropanamide has a molecular weight of 230.31 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 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)amino]-N-ethylpropanamide is sourced from PubChem (CID 106658204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).