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

C12H24N2O3 — CID 106658087

IUPACN-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC1COC(C)(C)OC1
InChIInChI=1S/C12H24N2O3/c1-9(2)11(15)14-6-5-13-10-7-16-12(3,4)17-8-10/h9-10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyQKAHMRMZCNRWKZ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.50
Rot. Bonds5

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

N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-2-methylpropanamide (PubChem CID 106658087) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-2-methylpropanamide
PubChem CID106658087
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC1COC(C)(C)OC1
InChIInChI=1S/C12H24N2O3/c1-9(2)11(15)14-6-5-13-10-7-16-12(3,4)17-8-10/h9-10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyQKAHMRMZCNRWKZ-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide
CID 106658128
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propanoic acid
CID 106658180
N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-2-methylpropanamide
CID 80693383
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-4-methylbenzamide
CID 106658655
N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide
CID 28552099
N-[2-(cyclohexylamino)ethyl]-2-methylpropanamide
CID 28651344
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-methylpropanamide
CID 106658723
2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-propylpropanamide
CID 106658282
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]methanesulfonamide
CID 106658151
2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-ethylpropanamide
CID 106658204
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 106658991
1-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methylbutan-2-ol
CID 106659034

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-2-methylpropanamide (CID 106658087) is N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNC1COC(C)(C)OC1.
What is the InChIKey of N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-2-methylpropanamide?
The InChIKey is QKAHMRMZCNRWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(2)11(15)14-6-5-13-10-7-16-12(3,4)17-8-10/h9-10,13H,5-8H2,1-4H3,(H,14,15).
What are the key properties of N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-2-methylpropanamide?
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-2-methylpropanamide has a molecular weight of 244.33 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 106658087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).