N-(3-methoxybutan-2-yl)-N-methylacetamide

C8H17NO2 — CID 20665472

IUPACN-(3-methoxybutan-2-yl)-N-methylacetamide
SMILESCOC(C)C(C)N(C)C(C)=O
InChIInChI=1S/C8H17NO2/c1-6(7(2)11-5)9(4)8(3)10/h6-7H,1-5H3
InChIKeyVQPFHVYAVXGOQR-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.89
Rot. Bonds3

About N-(3-methoxybutan-2-yl)-N-methylacetamide

N-(3-methoxybutan-2-yl)-N-methylacetamide (PubChem CID 20665472) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(3-methoxybutan-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-methoxybutan-2-yl)-N-methylacetamide
PubChem CID20665472
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-(3-methoxybutan-2-yl)-N-methylacetamide
SMILESCOC(C)C(C)N(C)C(C)=O
InChIInChI=1S/C8H17NO2/c1-6(7(2)11-5)9(4)8(3)10/h6-7H,1-5H3
InChIKeyVQPFHVYAVXGOQR-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxybutan-2-yl)-N-methylacetamide?
The IUPAC name of N-(3-methoxybutan-2-yl)-N-methylacetamide (CID 20665472) is N-(3-methoxybutan-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(3-methoxybutan-2-yl)-N-methylacetamide?
The canonical SMILES for N-(3-methoxybutan-2-yl)-N-methylacetamide is COC(C)C(C)N(C)C(C)=O.
What is the InChIKey of N-(3-methoxybutan-2-yl)-N-methylacetamide?
The InChIKey is VQPFHVYAVXGOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(7(2)11-5)9(4)8(3)10/h6-7H,1-5H3.
What are the key properties of N-(3-methoxybutan-2-yl)-N-methylacetamide?
N-(3-methoxybutan-2-yl)-N-methylacetamide has a molecular weight of 159.23 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxybutan-2-yl)-N-methylacetamide is sourced from PubChem (CID 20665472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).