3-methyl-N-propan-2-yl-2-propoxybutanamide

C11H23NO2 — CID 21366391

IUPAC3-methyl-N-propan-2-yl-2-propoxybutanamide
SMILESCCCOC(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C11H23NO2/c1-6-7-14-10(8(2)3)11(13)12-9(4)5/h8-10H,6-7H2,1-5H3,(H,12,13)
InChIKeyJAENXMCJVDZVMX-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.96
Rot. Bonds6

About 3-methyl-N-propan-2-yl-2-propoxybutanamide

3-methyl-N-propan-2-yl-2-propoxybutanamide (PubChem CID 21366391) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-2-propoxybutanamide.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-2-propoxybutanamide
PubChem CID21366391
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-methyl-N-propan-2-yl-2-propoxybutanamide
SMILESCCCOC(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C11H23NO2/c1-6-7-14-10(8(2)3)11(13)12-9(4)5/h8-10H,6-7H2,1-5H3,(H,12,13)
InChIKeyJAENXMCJVDZVMX-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-2-propoxybutanamide?
The IUPAC name of 3-methyl-N-propan-2-yl-2-propoxybutanamide (CID 21366391) is 3-methyl-N-propan-2-yl-2-propoxybutanamide.
What is the SMILES notation for 3-methyl-N-propan-2-yl-2-propoxybutanamide?
The canonical SMILES for 3-methyl-N-propan-2-yl-2-propoxybutanamide is CCCOC(C(=O)NC(C)C)C(C)C.
What is the InChIKey of 3-methyl-N-propan-2-yl-2-propoxybutanamide?
The InChIKey is JAENXMCJVDZVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-7-14-10(8(2)3)11(13)12-9(4)5/h8-10H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 3-methyl-N-propan-2-yl-2-propoxybutanamide?
3-methyl-N-propan-2-yl-2-propoxybutanamide has a molecular weight of 201.31 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-2-propoxybutanamide is sourced from PubChem (CID 21366391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).