N-(1,1-diethoxybutan-2-yl)prop-2-enamide

C11H21NO3 — CID 22719315

IUPACN-(1,1-diethoxybutan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(CC)C(OCC)OCC
InChIInChI=1S/C11H21NO3/c1-5-9(12-10(13)6-2)11(14-7-3)15-8-4/h6,9,11H,2,5,7-8H2,1,3-4H3,(H,12,13)
InChIKeyMHXFVFMTJDZGGN-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.47
Rot. Bonds8

About N-(1,1-diethoxybutan-2-yl)prop-2-enamide

N-(1,1-diethoxybutan-2-yl)prop-2-enamide (PubChem CID 22719315) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-(1,1-diethoxybutan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,1-diethoxybutan-2-yl)prop-2-enamide
PubChem CID22719315
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-(1,1-diethoxybutan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(CC)C(OCC)OCC
InChIInChI=1S/C11H21NO3/c1-5-9(12-10(13)6-2)11(14-7-3)15-8-4/h6,9,11H,2,5,7-8H2,1,3-4H3,(H,12,13)
InChIKeyMHXFVFMTJDZGGN-UHFFFAOYSA-N
XLogP1.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.47
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-diethoxybutan-2-yl)prop-2-enamide?
The IUPAC name of N-(1,1-diethoxybutan-2-yl)prop-2-enamide (CID 22719315) is N-(1,1-diethoxybutan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(1,1-diethoxybutan-2-yl)prop-2-enamide?
The canonical SMILES for N-(1,1-diethoxybutan-2-yl)prop-2-enamide is C=CC(=O)NC(CC)C(OCC)OCC.
What is the InChIKey of N-(1,1-diethoxybutan-2-yl)prop-2-enamide?
The InChIKey is MHXFVFMTJDZGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-9(12-10(13)6-2)11(14-7-3)15-8-4/h6,9,11H,2,5,7-8H2,1,3-4H3,(H,12,13).
What are the key properties of N-(1,1-diethoxybutan-2-yl)prop-2-enamide?
N-(1,1-diethoxybutan-2-yl)prop-2-enamide has a molecular weight of 215.29 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-diethoxybutan-2-yl)prop-2-enamide is sourced from PubChem (CID 22719315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).