2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-2-enamide

C11H20N2O2 — CID 177014563

IUPAC2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-2-enamide
SMILESC=C(CN1CCOCC1)C(=O)NC(C)C
InChIInChI=1S/C11H20N2O2/c1-9(2)12-11(14)10(3)8-13-4-6-15-7-5-13/h9H,3-8H2,1-2H3,(H,12,14)
InChIKeyPWVMYGOUUVIDCR-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.40
Rot. Bonds4

About 2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-2-enamide

2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-2-enamide (PubChem CID 177014563) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-2-enamide
PubChem CID177014563
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-2-enamide
SMILESC=C(CN1CCOCC1)C(=O)NC(C)C
InChIInChI=1S/C11H20N2O2/c1-9(2)12-11(14)10(3)8-13-4-6-15-7-5-13/h9H,3-8H2,1-2H3,(H,12,14)
InChIKeyPWVMYGOUUVIDCR-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 2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-2-enamide?
The IUPAC name of 2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-2-enamide (CID 177014563) is 2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-2-enamide is C=C(CN1CCOCC1)C(=O)NC(C)C.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-2-enamide?
The InChIKey is PWVMYGOUUVIDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(2)12-11(14)10(3)8-13-4-6-15-7-5-13/h9H,3-8H2,1-2H3,(H,12,14).
What are the key properties of 2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-2-enamide?
2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-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 2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 177014563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).