N-(2,2-diethyloxan-4-yl)prop-2-enamide

C12H21NO2 — CID 83032720

IUPACN-(2,2-diethyloxan-4-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCOC(CC)(CC)C1
InChIInChI=1S/C12H21NO2/c1-4-11(14)13-10-7-8-15-12(5-2,6-3)9-10/h4,10H,1,5-9H2,2-3H3,(H,13,14)
InChIKeyONUICIZZVKOGNM-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.03
Rot. Bonds4

About N-(2,2-diethyloxan-4-yl)prop-2-enamide

N-(2,2-diethyloxan-4-yl)prop-2-enamide (PubChem CID 83032720) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)prop-2-enamide
PubChem CID83032720
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-(2,2-diethyloxan-4-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCOC(CC)(CC)C1
InChIInChI=1S/C12H21NO2/c1-4-11(14)13-10-7-8-15-12(5-2,6-3)9-10/h4,10H,1,5-9H2,2-3H3,(H,13,14)
InChIKeyONUICIZZVKOGNM-UHFFFAOYSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)prop-2-enamide?
The IUPAC name of N-(2,2-diethyloxan-4-yl)prop-2-enamide (CID 83032720) is N-(2,2-diethyloxan-4-yl)prop-2-enamide.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)prop-2-enamide?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)prop-2-enamide is C=CC(=O)NC1CCOC(CC)(CC)C1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)prop-2-enamide?
The InChIKey is ONUICIZZVKOGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-11(14)13-10-7-8-15-12(5-2,6-3)9-10/h4,10H,1,5-9H2,2-3H3,(H,13,14).
What are the key properties of N-(2,2-diethyloxan-4-yl)prop-2-enamide?
N-(2,2-diethyloxan-4-yl)prop-2-enamide has a molecular weight of 211.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)prop-2-enamide is sourced from PubChem (CID 83032720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).