N-(1,1-dimethoxybutan-2-yl)but-2-enamide

C10H19NO3 — CID 56637651

IUPACN-(1,1-dimethoxybutan-2-yl)but-2-enamide
SMILESCC=CC(=O)NC(CC)C(OC)OC
InChIInChI=1S/C10H19NO3/c1-5-7-9(12)11-8(6-2)10(13-3)14-4/h5,7-8,10H,6H2,1-4H3,(H,11,12)
InChIKeyCOPJHKLIXUSSGN-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.08
Rot. Bonds6

About N-(1,1-dimethoxybutan-2-yl)but-2-enamide

N-(1,1-dimethoxybutan-2-yl)but-2-enamide (PubChem CID 56637651) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(1,1-dimethoxybutan-2-yl)but-2-enamide.

Molecular Properties

Compound NameN-(1,1-dimethoxybutan-2-yl)but-2-enamide
PubChem CID56637651
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-(1,1-dimethoxybutan-2-yl)but-2-enamide
SMILESCC=CC(=O)NC(CC)C(OC)OC
InChIInChI=1S/C10H19NO3/c1-5-7-9(12)11-8(6-2)10(13-3)14-4/h5,7-8,10H,6H2,1-4H3,(H,11,12)
InChIKeyCOPJHKLIXUSSGN-UHFFFAOYSA-N
XLogP1.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxybutan-2-yl)but-2-enamide?
The IUPAC name of N-(1,1-dimethoxybutan-2-yl)but-2-enamide (CID 56637651) is N-(1,1-dimethoxybutan-2-yl)but-2-enamide.
What is the SMILES notation for N-(1,1-dimethoxybutan-2-yl)but-2-enamide?
The canonical SMILES for N-(1,1-dimethoxybutan-2-yl)but-2-enamide is CC=CC(=O)NC(CC)C(OC)OC.
What is the InChIKey of N-(1,1-dimethoxybutan-2-yl)but-2-enamide?
The InChIKey is COPJHKLIXUSSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-7-9(12)11-8(6-2)10(13-3)14-4/h5,7-8,10H,6H2,1-4H3,(H,11,12).
What are the key properties of N-(1,1-dimethoxybutan-2-yl)but-2-enamide?
N-(1,1-dimethoxybutan-2-yl)but-2-enamide has a molecular weight of 201.27 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxybutan-2-yl)but-2-enamide is sourced from PubChem (CID 56637651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).