2-(methylamino)-N-[(3S)-5-methyl-2-oxohexan-3-yl]acetamide

C10H20N2O2 — CID 59002736

IUPAC2-(methylamino)-N-[(3S)-5-methyl-2-oxohexan-3-yl]acetamide
SMILESCNCC(=O)N[C@@H](CC(C)C)C(C)=O
InChIInChI=1S/C10H20N2O2/c1-7(2)5-9(8(3)13)12-10(14)6-11-4/h7,9,11H,5-6H2,1-4H3,(H,12,14)/t9-/m0/s1
InChIKeyCJLHIHMQNZZPSH-VIFPVBQESA-N
MW200.28 g/mol
LogP0.33
Rot. Bonds6

About 2-(methylamino)-N-[(3S)-5-methyl-2-oxohexan-3-yl]acetamide

2-(methylamino)-N-[(3S)-5-methyl-2-oxohexan-3-yl]acetamide (PubChem CID 59002736) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(methylamino)-N-[(3S)-5-methyl-2-oxohexan-3-yl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(3S)-5-methyl-2-oxohexan-3-yl]acetamide
PubChem CID59002736
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-(methylamino)-N-[(3S)-5-methyl-2-oxohexan-3-yl]acetamide
SMILESCNCC(=O)N[C@@H](CC(C)C)C(C)=O
InChIInChI=1S/C10H20N2O2/c1-7(2)5-9(8(3)13)12-10(14)6-11-4/h7,9,11H,5-6H2,1-4H3,(H,12,14)/t9-/m0/s1
InChIKeyCJLHIHMQNZZPSH-VIFPVBQESA-N
XLogP0.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(3S)-5-methyl-2-oxohexan-3-yl]acetamide?
The IUPAC name of 2-(methylamino)-N-[(3S)-5-methyl-2-oxohexan-3-yl]acetamide (CID 59002736) is 2-(methylamino)-N-[(3S)-5-methyl-2-oxohexan-3-yl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[(3S)-5-methyl-2-oxohexan-3-yl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[(3S)-5-methyl-2-oxohexan-3-yl]acetamide is CNCC(=O)N[C@@H](CC(C)C)C(C)=O.
What is the InChIKey of 2-(methylamino)-N-[(3S)-5-methyl-2-oxohexan-3-yl]acetamide?
The InChIKey is CJLHIHMQNZZPSH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(2)5-9(8(3)13)12-10(14)6-11-4/h7,9,11H,5-6H2,1-4H3,(H,12,14)/t9-/m0/s1.
What are the key properties of 2-(methylamino)-N-[(3S)-5-methyl-2-oxohexan-3-yl]acetamide?
2-(methylamino)-N-[(3S)-5-methyl-2-oxohexan-3-yl]acetamide has a molecular weight of 200.28 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(3S)-5-methyl-2-oxohexan-3-yl]acetamide is sourced from PubChem (CID 59002736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).