N-[2-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide

C11H20N2O2 — CID 54484386

IUPACN-[2-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN1C(C)COCC1C
InChIInChI=1S/C11H20N2O2/c1-4-11(14)12-5-6-13-9(2)7-15-8-10(13)3/h4,9-10H,1,5-8H2,2-3H3,(H,12,14)
InChIKeyXRGVYRYJSVVHCM-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.40
Rot. Bonds4

About N-[2-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide

N-[2-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide (PubChem CID 54484386) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[2-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide
PubChem CID54484386
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[2-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN1C(C)COCC1C
InChIInChI=1S/C11H20N2O2/c1-4-11(14)12-5-6-13-9(2)7-15-8-10(13)3/h4,9-10H,1,5-8H2,2-3H3,(H,12,14)
InChIKeyXRGVYRYJSVVHCM-UHFFFAOYSA-N
XLogP0.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide (CID 54484386) is N-[2-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide is C=CC(=O)NCCN1C(C)COCC1C.
What is the InChIKey of N-[2-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide?
The InChIKey is XRGVYRYJSVVHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-11(14)12-5-6-13-9(2)7-15-8-10(13)3/h4,9-10H,1,5-8H2,2-3H3,(H,12,14).
What are the key properties of N-[2-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide?
N-[2-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide has a molecular weight of 212.29 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 54484386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).