3-methoxy-3-methyl-N-prop-2-enylbutanamide

C9H17NO2 — CID 103021004

IUPAC3-methoxy-3-methyl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CC(C)(C)OC
InChIInChI=1S/C9H17NO2/c1-5-6-10-8(11)7-9(2,3)12-4/h5H,1,6-7H2,2-4H3,(H,10,11)
InChIKeyDPULARGYFQXFIB-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds5

About 3-methoxy-3-methyl-N-prop-2-enylbutanamide

3-methoxy-3-methyl-N-prop-2-enylbutanamide (PubChem CID 103021004) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-prop-2-enylbutanamide
PubChem CID103021004
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-methoxy-3-methyl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CC(C)(C)OC
InChIInChI=1S/C9H17NO2/c1-5-6-10-8(11)7-9(2,3)12-4/h5H,1,6-7H2,2-4H3,(H,10,11)
InChIKeyDPULARGYFQXFIB-UHFFFAOYSA-N
XLogP1.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-prop-2-enylbutanamide?
The IUPAC name of 3-methoxy-3-methyl-N-prop-2-enylbutanamide (CID 103021004) is 3-methoxy-3-methyl-N-prop-2-enylbutanamide.
What is the SMILES notation for 3-methoxy-3-methyl-N-prop-2-enylbutanamide?
The canonical SMILES for 3-methoxy-3-methyl-N-prop-2-enylbutanamide is C=CCNC(=O)CC(C)(C)OC.
What is the InChIKey of 3-methoxy-3-methyl-N-prop-2-enylbutanamide?
The InChIKey is DPULARGYFQXFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-6-10-8(11)7-9(2,3)12-4/h5H,1,6-7H2,2-4H3,(H,10,11).
What are the key properties of 3-methoxy-3-methyl-N-prop-2-enylbutanamide?
3-methoxy-3-methyl-N-prop-2-enylbutanamide has a molecular weight of 171.24 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 103021004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).