2-amino-2-ethyl-N-methyl-N-(oxan-4-yl)butanamide

C12H24N2O2 — CID 79810217

IUPAC2-amino-2-ethyl-N-methyl-N-(oxan-4-yl)butanamide
SMILESCCC(N)(CC)C(=O)N(C)C1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-4-12(13,5-2)11(15)14(3)10-6-8-16-9-7-10/h10H,4-9,13H2,1-3H3
InChIKeyTYCGYMSZWKOZPG-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.14
Rot. Bonds4

About 2-amino-2-ethyl-N-methyl-N-(oxan-4-yl)butanamide

2-amino-2-ethyl-N-methyl-N-(oxan-4-yl)butanamide (PubChem CID 79810217) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-methyl-N-(oxan-4-yl)butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-methyl-N-(oxan-4-yl)butanamide
PubChem CID79810217
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-amino-2-ethyl-N-methyl-N-(oxan-4-yl)butanamide
SMILESCCC(N)(CC)C(=O)N(C)C1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-4-12(13,5-2)11(15)14(3)10-6-8-16-9-7-10/h10H,4-9,13H2,1-3H3
InChIKeyTYCGYMSZWKOZPG-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-methyl-N-(oxan-4-yl)butanamide?
The IUPAC name of 2-amino-2-ethyl-N-methyl-N-(oxan-4-yl)butanamide (CID 79810217) is 2-amino-2-ethyl-N-methyl-N-(oxan-4-yl)butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-methyl-N-(oxan-4-yl)butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-methyl-N-(oxan-4-yl)butanamide is CCC(N)(CC)C(=O)N(C)C1CCOCC1.
What is the InChIKey of 2-amino-2-ethyl-N-methyl-N-(oxan-4-yl)butanamide?
The InChIKey is TYCGYMSZWKOZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-12(13,5-2)11(15)14(3)10-6-8-16-9-7-10/h10H,4-9,13H2,1-3H3.
What are the key properties of 2-amino-2-ethyl-N-methyl-N-(oxan-4-yl)butanamide?
2-amino-2-ethyl-N-methyl-N-(oxan-4-yl)butanamide has a molecular weight of 228.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-methyl-N-(oxan-4-yl)butanamide is sourced from PubChem (CID 79810217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).