(Z)-but-2-ene;ethane;N-hydroxy-N-methylacetamide;N-hydroxy-N,2,3-trimethylbut-2-enamide;methane

C17H38N2O4 — CID 158903019

IUPAC(Z)-but-2-ene;ethane;N-hydroxy-N-methylacetamide;N-hydroxy-N,2,3-trimethylbut-2-enamide;methane
SMILESC.C/C=C\C.CC.CC(=O)N(C)O.CC(C)=C(C)C(=O)N(C)O
InChIInChI=1S/C7H13NO2.C4H8.C3H7NO2.C2H6.CH4/c1-5(2)6(3)7(9)8(4)10;1-3-4-2;1-3(5)4(2)6;1-2;/h10H,1-4H3;3-4H,1-2H3;6H,1-2H3;1-2H3;1H4/b;4-3-;;;
InChIKeyJFRLORKVCZPUMY-BXRJXUPASA-N
MW334.50 g/mol
LogP4.29
Rot. Bonds1

About (Z)-but-2-ene;ethane;N-hydroxy-N-methylacetamide;N-hydroxy-N,2,3-trimethylbut-2-enamide;methane

(Z)-but-2-ene;ethane;N-hydroxy-N-methylacetamide;N-hydroxy-N,2,3-trimethylbut-2-enamide;methane (PubChem CID 158903019) has the molecular formula C17H38N2O4 and a molecular weight of 334.50 g/mol. Its IUPAC name is (Z)-but-2-ene;ethane;N-hydroxy-N-methylacetamide;N-hydroxy-N,2,3-trimethylbut-2-enamide;methane.

Molecular Properties

Compound Name(Z)-but-2-ene;ethane;N-hydroxy-N-methylacetamide;N-hydroxy-N,2,3-trimethylbut-2-enamide;methane
PubChem CID158903019
Molecular FormulaC17H38N2O4
Molecular Weight334.50 g/mol
Exact Mass334.28
IUPAC Name(Z)-but-2-ene;ethane;N-hydroxy-N-methylacetamide;N-hydroxy-N,2,3-trimethylbut-2-enamide;methane
SMILESC.C/C=C\C.CC.CC(=O)N(C)O.CC(C)=C(C)C(=O)N(C)O
InChIInChI=1S/C7H13NO2.C4H8.C3H7NO2.C2H6.CH4/c1-5(2)6(3)7(9)8(4)10;1-3-4-2;1-3(5)4(2)6;1-2;/h10H,1-4H3;3-4H,1-2H3;6H,1-2H3;1-2H3;1H4/b;4-3-;;;
InChIKeyJFRLORKVCZPUMY-BXRJXUPASA-N
XLogP4.29
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;ethane;N-hydroxy-N-methylacetamide;N-hydroxy-N,2,3-trimethylbut-2-enamide;methane?
The IUPAC name of (Z)-but-2-ene;ethane;N-hydroxy-N-methylacetamide;N-hydroxy-N,2,3-trimethylbut-2-enamide;methane (CID 158903019) is (Z)-but-2-ene;ethane;N-hydroxy-N-methylacetamide;N-hydroxy-N,2,3-trimethylbut-2-enamide;methane.
What is the SMILES notation for (Z)-but-2-ene;ethane;N-hydroxy-N-methylacetamide;N-hydroxy-N,2,3-trimethylbut-2-enamide;methane?
The canonical SMILES for (Z)-but-2-ene;ethane;N-hydroxy-N-methylacetamide;N-hydroxy-N,2,3-trimethylbut-2-enamide;methane is C.C/C=C\C.CC.CC(=O)N(C)O.CC(C)=C(C)C(=O)N(C)O.
What is the InChIKey of (Z)-but-2-ene;ethane;N-hydroxy-N-methylacetamide;N-hydroxy-N,2,3-trimethylbut-2-enamide;methane?
The InChIKey is JFRLORKVCZPUMY-BXRJXUPASA-N. The full InChI is InChI=1S/C7H13NO2.C4H8.C3H7NO2.C2H6.CH4/c1-5(2)6(3)7(9)8(4)10;1-3-4-2;1-3(5)4(2)6;1-2;/h10H,1-4H3;3-4H,1-2H3;6H,1-2H3;1-2H3;1H4/b;4-3-;;;.
What are the key properties of (Z)-but-2-ene;ethane;N-hydroxy-N-methylacetamide;N-hydroxy-N,2,3-trimethylbut-2-enamide;methane?
(Z)-but-2-ene;ethane;N-hydroxy-N-methylacetamide;N-hydroxy-N,2,3-trimethylbut-2-enamide;methane has a molecular weight of 334.50 g/mol, XLogP of 4.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;ethane;N-hydroxy-N-methylacetamide;N-hydroxy-N,2,3-trimethylbut-2-enamide;methane is sourced from PubChem (CID 158903019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).