N-acetyl-N-methoxypropanamide;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide

C17H28N2O6 — CID 153371680

IUPACN-acetyl-N-methoxypropanamide;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide
SMILESCCC(=O)N(OC)C(C)=O.CN(CCCCCC=O)C(=O)/C=C\C=O
InChIInChI=1S/C11H17NO3.C6H11NO3/c1-12(11(15)7-6-10-14)8-4-2-3-5-9-13;1-4-6(9)7(10-3)5(2)8/h6-7,9-10H,2-5,8H2,1H3;4H2,1-3H3/b7-6-;
InChIKeyZFFVTYDJBPSFEJ-NAFXZHHSSA-N
MW356.42 g/mol
LogP1.29
Rot. Bonds10

About N-acetyl-N-methoxypropanamide;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide

N-acetyl-N-methoxypropanamide;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide (PubChem CID 153371680) has the molecular formula C17H28N2O6 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-acetyl-N-methoxypropanamide;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide.

Molecular Properties

Compound NameN-acetyl-N-methoxypropanamide;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide
PubChem CID153371680
Molecular FormulaC17H28N2O6
Molecular Weight356.42 g/mol
Exact Mass356.19
IUPAC NameN-acetyl-N-methoxypropanamide;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide
SMILESCCC(=O)N(OC)C(C)=O.CN(CCCCCC=O)C(=O)/C=C\C=O
InChIInChI=1S/C11H17NO3.C6H11NO3/c1-12(11(15)7-6-10-14)8-4-2-3-5-9-13;1-4-6(9)7(10-3)5(2)8/h6-7,9-10H,2-5,8H2,1H3;4H2,1-3H3/b7-6-;
InChIKeyZFFVTYDJBPSFEJ-NAFXZHHSSA-N
XLogP1.29
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(6-oxohexyl)-N-prop-2-enoylpropanamide
CID 129290044
4-[methoxy(methyl)amino]pent-4-enal;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide
CID 142369721
(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide
CID 142369722
[methyl(4-oxobutanoyl)amino] 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate
CID 142543352
(Z)-N-formyl-N-(6-oxohexyl)but-2-enamide
CID 144590215
6-(2,5-Dioxopyrrol-1-yl)hexanal;ethane
CID 144703023
(Z)-N-formyl-N-(6-oxohexyl)but-2-enamide;methanol
CID 144942521
(Z)-N-formyl-N-(6-oxohexyl)but-2-enamide;N-methylmethanamine
CID 145135156
6-(2,5-Dioxopyrrol-1-yl)hexanal;1-methoxypyrrolidine-2,5-dione
CID 145415097
methanol;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide
CID 145589899
6-(2,5-dioxopyrrol-1-yl)hexanal;N-methoxy-N-methyl-4-oxobutanamide
CID 153371736
Butanedial;dimethylamino formate;1-hexylpyrrole-2,5-dione
CID 155715085

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-methoxypropanamide;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide?
The IUPAC name of N-acetyl-N-methoxypropanamide;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide (CID 153371680) is N-acetyl-N-methoxypropanamide;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide.
What is the SMILES notation for N-acetyl-N-methoxypropanamide;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide?
The canonical SMILES for N-acetyl-N-methoxypropanamide;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide is CCC(=O)N(OC)C(C)=O.CN(CCCCCC=O)C(=O)/C=C\C=O.
What is the InChIKey of N-acetyl-N-methoxypropanamide;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide?
The InChIKey is ZFFVTYDJBPSFEJ-NAFXZHHSSA-N. The full InChI is InChI=1S/C11H17NO3.C6H11NO3/c1-12(11(15)7-6-10-14)8-4-2-3-5-9-13;1-4-6(9)7(10-3)5(2)8/h6-7,9-10H,2-5,8H2,1H3;4H2,1-3H3/b7-6-;.
What are the key properties of N-acetyl-N-methoxypropanamide;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide?
N-acetyl-N-methoxypropanamide;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide has a molecular weight of 356.42 g/mol, XLogP of 1.29, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-methoxypropanamide;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide is sourced from PubChem (CID 153371680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).