N-but-3-enyl-3-methoxy-3-methylbutanamide

C10H19NO2 — CID 103021027

IUPACN-but-3-enyl-3-methoxy-3-methylbutanamide
SMILESC=CCCNC(=O)CC(C)(C)OC
InChIInChI=1S/C10H19NO2/c1-5-6-7-11-9(12)8-10(2,3)13-4/h5H,1,6-8H2,2-4H3,(H,11,12)
InChIKeyLZWJCHOAALJTLQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds6

About N-but-3-enyl-3-methoxy-3-methylbutanamide

N-but-3-enyl-3-methoxy-3-methylbutanamide (PubChem CID 103021027) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-but-3-enyl-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-but-3-enyl-3-methoxy-3-methylbutanamide
PubChem CID103021027
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-but-3-enyl-3-methoxy-3-methylbutanamide
SMILESC=CCCNC(=O)CC(C)(C)OC
InChIInChI=1S/C10H19NO2/c1-5-6-7-11-9(12)8-10(2,3)13-4/h5H,1,6-8H2,2-4H3,(H,11,12)
InChIKeyLZWJCHOAALJTLQ-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-3-methoxy-3-methylbutanamide?
The IUPAC name of N-but-3-enyl-3-methoxy-3-methylbutanamide (CID 103021027) is N-but-3-enyl-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-but-3-enyl-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-but-3-enyl-3-methoxy-3-methylbutanamide is C=CCCNC(=O)CC(C)(C)OC.
What is the InChIKey of N-but-3-enyl-3-methoxy-3-methylbutanamide?
The InChIKey is LZWJCHOAALJTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-6-7-11-9(12)8-10(2,3)13-4/h5H,1,6-8H2,2-4H3,(H,11,12).
What are the key properties of N-but-3-enyl-3-methoxy-3-methylbutanamide?
N-but-3-enyl-3-methoxy-3-methylbutanamide has a molecular weight of 185.27 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103021027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).