molecular hydrogen;(E)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide

C11H21NO3 — CID 167491604

IUPACmolecular hydrogen;(E)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide
SMILESCCC(=O)/C=C/C(=O)NCCOC(C)C.[H][H]
InChIInChI=1S/C11H19NO3.H2/c1-4-10(13)5-6-11(14)12-7-8-15-9(2)3;/h5-6,9H,4,7-8H2,1-3H3,(H,12,14);1H/b6-5+;
InChIKeyPZZVQBLDNZFQSO-IPZCTEOASA-N
MW215.29 g/mol
LogP1.31
Rot. Bonds7

About molecular hydrogen;(E)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide

molecular hydrogen;(E)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide (PubChem CID 167491604) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is molecular hydrogen;(E)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide.

Molecular Properties

Compound Namemolecular hydrogen;(E)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide
PubChem CID167491604
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemolecular hydrogen;(E)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide
SMILESCCC(=O)/C=C/C(=O)NCCOC(C)C.[H][H]
InChIInChI=1S/C11H19NO3.H2/c1-4-10(13)5-6-11(14)12-7-8-15-9(2)3;/h5-6,9H,4,7-8H2,1-3H3,(H,12,14);1H/b6-5+;
InChIKeyPZZVQBLDNZFQSO-IPZCTEOASA-N
XLogP1.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide
CID 178007868
(E)-4-oxo-4-(2-propan-2-yloxyethylamino)but-2-enoic acid
CID 104759078
(E)-N-(2-ethoxyethyl)-4-oxohex-2-enamide
CID 174204849
(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;molecular hydrogen
CID 171558068
(E)-4-oxo-4-(2-propan-2-yloxyethylcarbamoylamino)but-2-enoic acid
CID 104762324
molecular hydrogen;4-oxo-N-(2-propan-2-yloxyethyl)hexanamide
CID 167491249
(Z)-N-ethyl-4-oxohex-2-enamide
CID 88554244
3-[2-(2-ethoxyethoxy)ethoxy]-N-(2-propan-2-yloxyethyl)propanamide;molecular hydrogen
CID 156820526
(E)-5-methyl-4-oxo-N-(2-propoxyethyl)hex-2-enamide
CID 178008368
2-propan-2-yloxyethylurea
CID 22179539
ethyl N-(2-propan-2-yloxyethyl)carbamate
CID 14496147
5-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide;molecular hydrogen
CID 177338018

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;(E)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide?
The IUPAC name of molecular hydrogen;(E)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide (CID 167491604) is molecular hydrogen;(E)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide.
What is the SMILES notation for molecular hydrogen;(E)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide?
The canonical SMILES for molecular hydrogen;(E)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide is CCC(=O)/C=C/C(=O)NCCOC(C)C.[H][H].
What is the InChIKey of molecular hydrogen;(E)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide?
The InChIKey is PZZVQBLDNZFQSO-IPZCTEOASA-N. The full InChI is InChI=1S/C11H19NO3.H2/c1-4-10(13)5-6-11(14)12-7-8-15-9(2)3;/h5-6,9H,4,7-8H2,1-3H3,(H,12,14);1H/b6-5+;.
What are the key properties of molecular hydrogen;(E)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide?
molecular hydrogen;(E)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide has a molecular weight of 215.29 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;(E)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide is sourced from PubChem (CID 167491604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).