2-[(2,2-dimethyloxan-4-yl)methyl-methylamino]-N,2-dimethylpropanamide

C14H28N2O2 — CID 50977902

IUPAC2-[(2,2-dimethyloxan-4-yl)methyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)N(C)CC1CCOC(C)(C)C1
InChIInChI=1S/C14H28N2O2/c1-13(2)9-11(7-8-18-13)10-16(6)14(3,4)12(17)15-5/h11H,7-10H2,1-6H3,(H,15,17)
InChIKeyHKCQMBNVNZNBIP-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds4

About 2-[(2,2-dimethyloxan-4-yl)methyl-methylamino]-N,2-dimethylpropanamide

2-[(2,2-dimethyloxan-4-yl)methyl-methylamino]-N,2-dimethylpropanamide (PubChem CID 50977902) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[(2,2-dimethyloxan-4-yl)methyl-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-[(2,2-dimethyloxan-4-yl)methyl-methylamino]-N,2-dimethylpropanamide
PubChem CID50977902
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[(2,2-dimethyloxan-4-yl)methyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)N(C)CC1CCOC(C)(C)C1
InChIInChI=1S/C14H28N2O2/c1-13(2)9-11(7-8-18-13)10-16(6)14(3,4)12(17)15-5/h11H,7-10H2,1-6H3,(H,15,17)
InChIKeyHKCQMBNVNZNBIP-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyloxan-4-yl)methyl-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 2-[(2,2-dimethyloxan-4-yl)methyl-methylamino]-N,2-dimethylpropanamide (CID 50977902) is 2-[(2,2-dimethyloxan-4-yl)methyl-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-[(2,2-dimethyloxan-4-yl)methyl-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 2-[(2,2-dimethyloxan-4-yl)methyl-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)(C)N(C)CC1CCOC(C)(C)C1.
What is the InChIKey of 2-[(2,2-dimethyloxan-4-yl)methyl-methylamino]-N,2-dimethylpropanamide?
The InChIKey is HKCQMBNVNZNBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2)9-11(7-8-18-13)10-16(6)14(3,4)12(17)15-5/h11H,7-10H2,1-6H3,(H,15,17).
What are the key properties of 2-[(2,2-dimethyloxan-4-yl)methyl-methylamino]-N,2-dimethylpropanamide?
2-[(2,2-dimethyloxan-4-yl)methyl-methylamino]-N,2-dimethylpropanamide has a molecular weight of 256.39 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyloxan-4-yl)methyl-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 50977902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).