N-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide;molecular hydrogen;propane

C13H30N2O2 — CID 144736616

IUPACN-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide;molecular hydrogen;propane
SMILESCCC.CNCC(=O)N(C)[C@H](C(C)=O)C(C)C.[H][H]
InChIInChI=1S/C10H20N2O2.C3H8.H2/c1-7(2)10(8(3)13)12(5)9(14)6-11-4;1-3-2;/h7,10-11H,6H2,1-5H3;3H2,1-2H3;1H/t10-;;/m0../s1
InChIKeyCBFJZAQUODWMDU-XRIOVQLTSA-N
MW246.39 g/mol
LogP1.94
Rot. Bonds5

About N-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide;molecular hydrogen;propane

N-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide;molecular hydrogen;propane (PubChem CID 144736616) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is N-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide;molecular hydrogen;propane.

Molecular Properties

Compound NameN-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide;molecular hydrogen;propane
PubChem CID144736616
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC NameN-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide;molecular hydrogen;propane
SMILESCCC.CNCC(=O)N(C)[C@H](C(C)=O)C(C)C.[H][H]
InChIInChI=1S/C10H20N2O2.C3H8.H2/c1-7(2)10(8(3)13)12(5)9(14)6-11-4;1-3-2;/h7,10-11H,6H2,1-5H3;3H2,1-2H3;1H/t10-;;/m0../s1
InChIKeyCBFJZAQUODWMDU-XRIOVQLTSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide;molecular hydrogen;propane?
The IUPAC name of N-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide;molecular hydrogen;propane (CID 144736616) is N-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide;molecular hydrogen;propane.
What is the SMILES notation for N-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide;molecular hydrogen;propane?
The canonical SMILES for N-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide;molecular hydrogen;propane is CCC.CNCC(=O)N(C)[C@H](C(C)=O)C(C)C.[H][H].
What is the InChIKey of N-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide;molecular hydrogen;propane?
The InChIKey is CBFJZAQUODWMDU-XRIOVQLTSA-N. The full InChI is InChI=1S/C10H20N2O2.C3H8.H2/c1-7(2)10(8(3)13)12(5)9(14)6-11-4;1-3-2;/h7,10-11H,6H2,1-5H3;3H2,1-2H3;1H/t10-;;/m0../s1.
What are the key properties of N-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide;molecular hydrogen;propane?
N-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide;molecular hydrogen;propane has a molecular weight of 246.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide;molecular hydrogen;propane is sourced from PubChem (CID 144736616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).