(Z)-5-methyl-4-oxo-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]hex-2-enamide

C18H33NO6 — CID 167420757

IUPAC(Z)-5-methyl-4-oxo-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]hex-2-enamide
SMILESCC(C)OCCOCCOCCOCCNC(=O)/C=C\C(=O)C(C)C
InChIInChI=1S/C18H33NO6/c1-15(2)17(20)5-6-18(21)19-7-8-22-9-10-23-11-12-24-13-14-25-16(3)4/h5-6,15-16H,7-14H2,1-4H3,(H,19,21)/b6-5-
InChIKeyFBMGXTHJEABCQG-WAYWQWQTSA-N
MW359.46 g/mol
LogP1.36
Rot. Bonds16

About (Z)-5-methyl-4-oxo-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]hex-2-enamide

(Z)-5-methyl-4-oxo-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]hex-2-enamide (PubChem CID 167420757) has the molecular formula C18H33NO6 and a molecular weight of 359.46 g/mol. Its IUPAC name is (Z)-5-methyl-4-oxo-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]hex-2-enamide.

Molecular Properties

Compound Name(Z)-5-methyl-4-oxo-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]hex-2-enamide
PubChem CID167420757
Molecular FormulaC18H33NO6
Molecular Weight359.46 g/mol
Exact Mass359.23
IUPAC Name(Z)-5-methyl-4-oxo-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]hex-2-enamide
SMILESCC(C)OCCOCCOCCOCCNC(=O)/C=C\C(=O)C(C)C
InChIInChI=1S/C18H33NO6/c1-15(2)17(20)5-6-18(21)19-7-8-22-9-10-23-11-12-24-13-14-25-16(3)4/h5-6,15-16H,7-14H2,1-4H3,(H,19,21)/b6-5-
InChIKeyFBMGXTHJEABCQG-WAYWQWQTSA-N
XLogP1.36
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (Z)-5-methyl-4-oxo-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]hex-2-enamide?
The IUPAC name of (Z)-5-methyl-4-oxo-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]hex-2-enamide (CID 167420757) is (Z)-5-methyl-4-oxo-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]hex-2-enamide.
What is the SMILES notation for (Z)-5-methyl-4-oxo-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]hex-2-enamide?
The canonical SMILES for (Z)-5-methyl-4-oxo-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]hex-2-enamide is CC(C)OCCOCCOCCOCCNC(=O)/C=C\C(=O)C(C)C.
What is the InChIKey of (Z)-5-methyl-4-oxo-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]hex-2-enamide?
The InChIKey is FBMGXTHJEABCQG-WAYWQWQTSA-N. The full InChI is InChI=1S/C18H33NO6/c1-15(2)17(20)5-6-18(21)19-7-8-22-9-10-23-11-12-24-13-14-25-16(3)4/h5-6,15-16H,7-14H2,1-4H3,(H,19,21)/b6-5-.
What are the key properties of (Z)-5-methyl-4-oxo-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]hex-2-enamide?
(Z)-5-methyl-4-oxo-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]hex-2-enamide has a molecular weight of 359.46 g/mol, XLogP of 1.36, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-4-oxo-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]hex-2-enamide is sourced from PubChem (CID 167420757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).