hexane;(Z)-N-methyl-4-oxo-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]but-2-enamide

C18H33NO5 — CID 143366489

IUPAChexane;(Z)-N-methyl-4-oxo-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]but-2-enamide
SMILESCC(=O)COCCOCCN(C)C(=O)/C=C\C=O.CCCCCC
InChIInChI=1S/C12H19NO5.C6H14/c1-11(15)10-18-9-8-17-7-5-13(2)12(16)4-3-6-14;1-3-5-6-4-2/h3-4,6H,5,7-10H2,1-2H3;3-6H2,1-2H3/b4-3-;
InChIKeyMOEXOZDMBIRPTN-LNKPDPKZSA-N
MW343.46 g/mol
LogP2.41
Rot. Bonds13

About hexane;(Z)-N-methyl-4-oxo-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]but-2-enamide

hexane;(Z)-N-methyl-4-oxo-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]but-2-enamide (PubChem CID 143366489) has the molecular formula C18H33NO5 and a molecular weight of 343.46 g/mol. Its IUPAC name is hexane;(Z)-N-methyl-4-oxo-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]but-2-enamide.

Molecular Properties

Compound Namehexane;(Z)-N-methyl-4-oxo-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]but-2-enamide
PubChem CID143366489
Molecular FormulaC18H33NO5
Molecular Weight343.46 g/mol
Exact Mass343.24
IUPAC Namehexane;(Z)-N-methyl-4-oxo-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]but-2-enamide
SMILESCC(=O)COCCOCCN(C)C(=O)/C=C\C=O.CCCCCC
InChIInChI=1S/C12H19NO5.C6H14/c1-11(15)10-18-9-8-17-7-5-13(2)12(16)4-3-6-14;1-3-5-6-4-2/h3-4,6H,5,7-10H2,1-2H3;3-6H2,1-2H3/b4-3-;
InChIKeyMOEXOZDMBIRPTN-LNKPDPKZSA-N
XLogP2.41
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobut-2-enamide
CID 138457788
1-[2-[2-[methyl(propyl)amino]ethoxy]ethoxy]propan-2-one
CID 134579713
1-hexadecoxypropan-2-one
CID 15701879
1-[2-[methyl(propyl)amino]ethoxy]propan-2-one
CID 20706497
N-(2-butoxyethyl)-N-methylacetamide
CID 155404672
ethane;3-[methyl-[(Z)-4-oxobut-2-enimidoyl]amino]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide;propane
CID 178094533
N,2-dimethyl-N-(2-pentoxyethyl)propanamide
CID 163400229
methanol;3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanal;N-methylmethanamine;(Z)-N-methyl-4-oxo-N-(2-oxoethyl)but-2-enamide
CID 171536039
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 175805082
1-(2-oxopropoxy)decan-4-one
CID 158938156
(Z)-N'-hexyl-N'-methylbut-2-enediamide
CID 87339309
(2Z)-4-[methyl(propyl)amino]penta-2,4-dienal
CID 168967318

Frequently Asked Questions

What is the IUPAC name of hexane;(Z)-N-methyl-4-oxo-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]but-2-enamide?
The IUPAC name of hexane;(Z)-N-methyl-4-oxo-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]but-2-enamide (CID 143366489) is hexane;(Z)-N-methyl-4-oxo-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]but-2-enamide.
What is the SMILES notation for hexane;(Z)-N-methyl-4-oxo-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]but-2-enamide?
The canonical SMILES for hexane;(Z)-N-methyl-4-oxo-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]but-2-enamide is CC(=O)COCCOCCN(C)C(=O)/C=C\C=O.CCCCCC.
What is the InChIKey of hexane;(Z)-N-methyl-4-oxo-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]but-2-enamide?
The InChIKey is MOEXOZDMBIRPTN-LNKPDPKZSA-N. The full InChI is InChI=1S/C12H19NO5.C6H14/c1-11(15)10-18-9-8-17-7-5-13(2)12(16)4-3-6-14;1-3-5-6-4-2/h3-4,6H,5,7-10H2,1-2H3;3-6H2,1-2H3/b4-3-;.
What are the key properties of hexane;(Z)-N-methyl-4-oxo-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]but-2-enamide?
hexane;(Z)-N-methyl-4-oxo-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]but-2-enamide has a molecular weight of 343.46 g/mol, XLogP of 2.41, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;(Z)-N-methyl-4-oxo-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]but-2-enamide is sourced from PubChem (CID 143366489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).