N-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide

C9H18N2O2 — CID 99908303

IUPACN-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide
SMILESCC(=O)N(C)C[C@H](C)N(C)C(C)=O
InChIInChI=1S/C9H18N2O2/c1-7(11(5)9(3)13)6-10(4)8(2)12/h7H,6H2,1-5H3/t7-/m0/s1
InChIKeyVDOFGFJUNYMJKS-ZETCQYMHSA-N
MW186.25 g/mol
LogP0.33
Rot. Bonds3

About N-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide

N-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide (PubChem CID 99908303) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide
PubChem CID99908303
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide
SMILESCC(=O)N(C)C[C@H](C)N(C)C(C)=O
InChIInChI=1S/C9H18N2O2/c1-7(11(5)9(3)13)6-10(4)8(2)12/h7H,6H2,1-5H3/t7-/m0/s1
InChIKeyVDOFGFJUNYMJKS-ZETCQYMHSA-N
XLogP0.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(2-methylbutyl)acetamide
CID 20650079
N-methyl-N-(2-methyl-3-oxobutyl)acetamide
CID 130029247
N-(1-chloropropan-2-yl)-N-methylacetamide
CID 104555726
N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692053
N-(3-hydroxy-2-methylpropyl)-N-methylacetamide
CID 126993696
N-methyl-N-[(2S)-2-(methylamino)propyl]acetamide
CID 58006956
N-(2-hydroxybutyl)-N-methylacetamide;methane
CID 158717174
N-(2-formylbutyl)-N-methylacetamide
CID 12688089
N-[1-(diethylamino)ethyl]-N-methylacetamide
CID 141054197
N-butan-2-yl-N-methylacetamide;N,N,2,2-tetramethylbutanamide
CID 158358928
N-methyl-N-(4-methylpentyl)acetamide
CID 115191246
N-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide
CID 87110437

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide?
The IUPAC name of N-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide (CID 99908303) is N-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide.
What is the SMILES notation for N-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide?
The canonical SMILES for N-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide is CC(=O)N(C)C[C@H](C)N(C)C(C)=O.
What is the InChIKey of N-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide?
The InChIKey is VDOFGFJUNYMJKS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(11(5)9(3)13)6-10(4)8(2)12/h7H,6H2,1-5H3/t7-/m0/s1.
What are the key properties of N-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide?
N-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide has a molecular weight of 186.25 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide is sourced from PubChem (CID 99908303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).