(Z)-2-butan-2-yloxy-N-ethylbut-2-enamide

C10H19NO2 — CID 167281284

IUPAC(Z)-2-butan-2-yloxy-N-ethylbut-2-enamide
SMILESC/C=C(\OC(C)CC)C(=O)NCC
InChIInChI=1S/C10H19NO2/c1-5-8(4)13-9(6-2)10(12)11-7-3/h6,8H,5,7H2,1-4H3,(H,11,12)/b9-6-
InChIKeyBTHBSGGQSGIZDI-TWGQIWQCSA-N
MW185.27 g/mol
LogP1.84
Rot. Bonds5

About (Z)-2-butan-2-yloxy-N-ethylbut-2-enamide

(Z)-2-butan-2-yloxy-N-ethylbut-2-enamide (PubChem CID 167281284) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (Z)-2-butan-2-yloxy-N-ethylbut-2-enamide.

Molecular Properties

Compound Name(Z)-2-butan-2-yloxy-N-ethylbut-2-enamide
PubChem CID167281284
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(Z)-2-butan-2-yloxy-N-ethylbut-2-enamide
SMILESC/C=C(\OC(C)CC)C(=O)NCC
InChIInChI=1S/C10H19NO2/c1-5-8(4)13-9(6-2)10(12)11-7-3/h6,8H,5,7H2,1-4H3,(H,11,12)/b9-6-
InChIKeyBTHBSGGQSGIZDI-TWGQIWQCSA-N
XLogP1.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-butan-2-yloxy-N-ethylbut-2-enamide?
The IUPAC name of (Z)-2-butan-2-yloxy-N-ethylbut-2-enamide (CID 167281284) is (Z)-2-butan-2-yloxy-N-ethylbut-2-enamide.
What is the SMILES notation for (Z)-2-butan-2-yloxy-N-ethylbut-2-enamide?
The canonical SMILES for (Z)-2-butan-2-yloxy-N-ethylbut-2-enamide is C/C=C(\OC(C)CC)C(=O)NCC.
What is the InChIKey of (Z)-2-butan-2-yloxy-N-ethylbut-2-enamide?
The InChIKey is BTHBSGGQSGIZDI-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-8(4)13-9(6-2)10(12)11-7-3/h6,8H,5,7H2,1-4H3,(H,11,12)/b9-6-.
What are the key properties of (Z)-2-butan-2-yloxy-N-ethylbut-2-enamide?
(Z)-2-butan-2-yloxy-N-ethylbut-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-butan-2-yloxy-N-ethylbut-2-enamide is sourced from PubChem (CID 167281284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).