2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methylpropyl)propanamide

C14H28N2O2 — CID 83032742

IUPAC2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NC1CCOC(C)(C)C1
InChIInChI=1S/C14H28N2O2/c1-10(2)9-15-13(17)11(3)16-12-6-7-18-14(4,5)8-12/h10-12,16H,6-9H2,1-5H3,(H,15,17)
InChIKeyCWRCOAITIAPQHJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.69
Rot. Bonds5

About 2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methylpropyl)propanamide

2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 83032742) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methylpropyl)propanamide
PubChem CID83032742
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NC1CCOC(C)(C)C1
InChIInChI=1S/C14H28N2O2/c1-10(2)9-15-13(17)11(3)16-12-6-7-18-14(4,5)8-12/h10-12,16H,6-9H2,1-5H3,(H,15,17)
InChIKeyCWRCOAITIAPQHJ-UHFFFAOYSA-N
XLogP1.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methylpropyl)propanamide (CID 83032742) is 2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)NC1CCOC(C)(C)C1.
What is the InChIKey of 2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is CWRCOAITIAPQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)9-15-13(17)11(3)16-12-6-7-18-14(4,5)8-12/h10-12,16H,6-9H2,1-5H3,(H,15,17).
What are the key properties of 2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methylpropyl)propanamide?
2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 256.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 83032742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).