N-(1-methoxypropan-2-yl)acetamide

C6H13NO2 — CID 5182380

IUPACN-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(C)=O
InChIInChI=1S/C6H13NO2/c1-5(4-9-3)7-6(2)8/h5H,4H2,1-3H3,(H,7,8)
InChIKeyDEMOIIRMYCGHMZ-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.16
Rot. Bonds3

About N-(1-methoxypropan-2-yl)acetamide

N-(1-methoxypropan-2-yl)acetamide (PubChem CID 5182380) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)acetamide
PubChem CID5182380
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC NameN-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(C)=O
InChIInChI=1S/C6H13NO2/c1-5(4-9-3)7-6(2)8/h5H,4H2,1-3H3,(H,7,8)
InChIKeyDEMOIIRMYCGHMZ-UHFFFAOYSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)acetamide (CID 5182380) is N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(C)=O.
What is the InChIKey of N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is DEMOIIRMYCGHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(4-9-3)7-6(2)8/h5H,4H2,1-3H3,(H,7,8).
What are the key properties of N-(1-methoxypropan-2-yl)acetamide?
N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 131.18 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 5182380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).