4-[acetyl(methyl)amino]-N,2,2-trimethylhexanamide

C12H24N2O2 — CID 54234958

IUPAC4-[acetyl(methyl)amino]-N,2,2-trimethylhexanamide
SMILESCCC(CC(C)(C)C(=O)NC)N(C)C(C)=O
InChIInChI=1S/C12H24N2O2/c1-7-10(14(6)9(2)15)8-12(3,4)11(16)13-5/h10H,7-8H2,1-6H3,(H,13,16)
InChIKeyQLWQNCIDAODQJZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.41
Rot. Bonds5

About 4-[acetyl(methyl)amino]-N,2,2-trimethylhexanamide

4-[acetyl(methyl)amino]-N,2,2-trimethylhexanamide (PubChem CID 54234958) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-[acetyl(methyl)amino]-N,2,2-trimethylhexanamide.

Molecular Properties

Compound Name4-[acetyl(methyl)amino]-N,2,2-trimethylhexanamide
PubChem CID54234958
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-[acetyl(methyl)amino]-N,2,2-trimethylhexanamide
SMILESCCC(CC(C)(C)C(=O)NC)N(C)C(C)=O
InChIInChI=1S/C12H24N2O2/c1-7-10(14(6)9(2)15)8-12(3,4)11(16)13-5/h10H,7-8H2,1-6H3,(H,13,16)
InChIKeyQLWQNCIDAODQJZ-UHFFFAOYSA-N
XLogP1.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(methyl)amino]-N,2,2-trimethylhexanamide?
The IUPAC name of 4-[acetyl(methyl)amino]-N,2,2-trimethylhexanamide (CID 54234958) is 4-[acetyl(methyl)amino]-N,2,2-trimethylhexanamide.
What is the SMILES notation for 4-[acetyl(methyl)amino]-N,2,2-trimethylhexanamide?
The canonical SMILES for 4-[acetyl(methyl)amino]-N,2,2-trimethylhexanamide is CCC(CC(C)(C)C(=O)NC)N(C)C(C)=O.
What is the InChIKey of 4-[acetyl(methyl)amino]-N,2,2-trimethylhexanamide?
The InChIKey is QLWQNCIDAODQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-7-10(14(6)9(2)15)8-12(3,4)11(16)13-5/h10H,7-8H2,1-6H3,(H,13,16).
What are the key properties of 4-[acetyl(methyl)amino]-N,2,2-trimethylhexanamide?
4-[acetyl(methyl)amino]-N,2,2-trimethylhexanamide has a molecular weight of 228.34 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(methyl)amino]-N,2,2-trimethylhexanamide is sourced from PubChem (CID 54234958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).