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

C12H24N2O3 — CID 106658282

IUPAC2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1COC(C)(C)OC1
InChIInChI=1S/C12H24N2O3/c1-5-6-13-11(15)9(2)14-10-7-16-12(3,4)17-8-10/h9-10,14H,5-8H2,1-4H3,(H,13,15)
InChIKeyAVHCPJSEUFOUJQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.64
Rot. Bonds5

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

2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-propylpropanamide (PubChem CID 106658282) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-propylpropanamide
PubChem CID106658282
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1COC(C)(C)OC1
InChIInChI=1S/C12H24N2O3/c1-5-6-13-11(15)9(2)14-10-7-16-12(3,4)17-8-10/h9-10,14H,5-8H2,1-4H3,(H,13,15)
InChIKeyAVHCPJSEUFOUJQ-UHFFFAOYSA-N
XLogP0.64
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-ethylpropanamide
CID 106658204
2-[(2,2-diethyloxan-4-yl)amino]-N-propylpropanamide
CID 83032657
2-(2-adamantylamino)-N-propylpropanamide
CID 43224055
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]butanamide
CID 104585278
N-(3-ethylpentan-2-yl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658781
2-[[3-(4-fluorophenyl)cyclobutyl]amino]-N-propylpropanamide
CID 43684863
N-butyl-2-(oxan-3-ylamino)propanamide
CID 63363455
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide
CID 106658128
N-propyl-2-(3-tricyclo[3.2.1.02,4]octanylamino)propanamide
CID 114095959
N-propyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanamide
CID 60664094
N-propyl-2-[(1-propylazepan-4-yl)amino]propanamide
CID 65074258
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propanoic acid
CID 106658180

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-propylpropanamide (CID 106658282) is 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)NC1COC(C)(C)OC1.
What is the InChIKey of 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-propylpropanamide?
The InChIKey is AVHCPJSEUFOUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-6-13-11(15)9(2)14-10-7-16-12(3,4)17-8-10/h9-10,14H,5-8H2,1-4H3,(H,13,15).
What are the key properties of 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-propylpropanamide?
2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-propylpropanamide has a molecular weight of 244.33 g/mol, XLogP of 0.64, 5 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-propylpropanamide is sourced from PubChem (CID 106658282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).