N-ethyl-2-methylidene-3-morpholin-4-ylbutanamide

C11H20N2O2 — CID 177013526

IUPACN-ethyl-2-methylidene-3-morpholin-4-ylbutanamide
SMILESC=C(C(=O)NCC)C(C)N1CCOCC1
InChIInChI=1S/C11H20N2O2/c1-4-12-11(14)9(2)10(3)13-5-7-15-8-6-13/h10H,2,4-8H2,1,3H3,(H,12,14)
InChIKeyUDCQVNLBRRMOTM-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.40
Rot. Bonds4

About N-ethyl-2-methylidene-3-morpholin-4-ylbutanamide

N-ethyl-2-methylidene-3-morpholin-4-ylbutanamide (PubChem CID 177013526) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-ethyl-2-methylidene-3-morpholin-4-ylbutanamide.

Molecular Properties

Compound NameN-ethyl-2-methylidene-3-morpholin-4-ylbutanamide
PubChem CID177013526
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-ethyl-2-methylidene-3-morpholin-4-ylbutanamide
SMILESC=C(C(=O)NCC)C(C)N1CCOCC1
InChIInChI=1S/C11H20N2O2/c1-4-12-11(14)9(2)10(3)13-5-7-15-8-6-13/h10H,2,4-8H2,1,3H3,(H,12,14)
InChIKeyUDCQVNLBRRMOTM-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-ethyl-2-methylidene-3-morpholin-4-ylbutanamide?
The IUPAC name of N-ethyl-2-methylidene-3-morpholin-4-ylbutanamide (CID 177013526) is N-ethyl-2-methylidene-3-morpholin-4-ylbutanamide.
What is the SMILES notation for N-ethyl-2-methylidene-3-morpholin-4-ylbutanamide?
The canonical SMILES for N-ethyl-2-methylidene-3-morpholin-4-ylbutanamide is C=C(C(=O)NCC)C(C)N1CCOCC1.
What is the InChIKey of N-ethyl-2-methylidene-3-morpholin-4-ylbutanamide?
The InChIKey is UDCQVNLBRRMOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-12-11(14)9(2)10(3)13-5-7-15-8-6-13/h10H,2,4-8H2,1,3H3,(H,12,14).
What are the key properties of N-ethyl-2-methylidene-3-morpholin-4-ylbutanamide?
N-ethyl-2-methylidene-3-morpholin-4-ylbutanamide 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-ethyl-2-methylidene-3-morpholin-4-ylbutanamide is sourced from PubChem (CID 177013526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).