N,N-dimethyl-2-[methyl-[(E)-4-oxohex-2-enyl]amino]acetamide

C11H20N2O2 — CID 142388322

IUPACN,N-dimethyl-2-[methyl-[(E)-4-oxohex-2-enyl]amino]acetamide
SMILESCCC(=O)/C=C/CN(C)CC(=O)N(C)C
InChIInChI=1S/C11H20N2O2/c1-5-10(14)7-6-8-13(4)9-11(15)12(2)3/h6-7H,5,8-9H2,1-4H3/b7-6+
InChIKeyUXPLYXCYKHUVJE-VOTSOKGWSA-N
MW212.29 g/mol
LogP0.54
Rot. Bonds6

About N,N-dimethyl-2-[methyl-[(E)-4-oxohex-2-enyl]amino]acetamide

N,N-dimethyl-2-[methyl-[(E)-4-oxohex-2-enyl]amino]acetamide (PubChem CID 142388322) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N,N-dimethyl-2-[methyl-[(E)-4-oxohex-2-enyl]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[methyl-[(E)-4-oxohex-2-enyl]amino]acetamide
PubChem CID142388322
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN,N-dimethyl-2-[methyl-[(E)-4-oxohex-2-enyl]amino]acetamide
SMILESCCC(=O)/C=C/CN(C)CC(=O)N(C)C
InChIInChI=1S/C11H20N2O2/c1-5-10(14)7-6-8-13(4)9-11(15)12(2)3/h6-7H,5,8-9H2,1-4H3/b7-6+
InChIKeyUXPLYXCYKHUVJE-VOTSOKGWSA-N
XLogP0.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-methyl-2-[methyl-[(E)-5-methyl-4-oxohex-2-enyl]amino]acetamide
CID 135165456
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-methylbut-2-enoic acid
CID 77074510
ethyl (Z)-4-oxohex-2-enoate
CID 10725597
ethyl (E)-4-[methyl(propyl)amino]but-2-enoate
CID 80549164
(E)-4-oxohex-2-enamide
CID 153226355
(E)-4-[ethyl(methyl)amino]but-2-enoyl iodide
CID 118400736
4-[methyl(propyl)amino]but-2-enoic acid
CID 76941132
ethyl (E)-4-[3-aminopropyl(methyl)amino]but-2-enoate
CID 115319155
N,N-dimethyl-2-[methyl(propanimidoyl)amino]acetamide
CID 146735988
(E)-1-hydroxypent-1-en-3-one
CID 12637148
(E)-5-[2-fluoroethyl(methyl)amino]pent-3-en-2-one
CID 142388492
sodium;ethyl (E)-4-(dimethylamino)but-2-enoate;hydroxide
CID 174912002

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[methyl-[(E)-4-oxohex-2-enyl]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[methyl-[(E)-4-oxohex-2-enyl]amino]acetamide (CID 142388322) is N,N-dimethyl-2-[methyl-[(E)-4-oxohex-2-enyl]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[methyl-[(E)-4-oxohex-2-enyl]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[methyl-[(E)-4-oxohex-2-enyl]amino]acetamide is CCC(=O)/C=C/CN(C)CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[methyl-[(E)-4-oxohex-2-enyl]amino]acetamide?
The InChIKey is UXPLYXCYKHUVJE-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-10(14)7-6-8-13(4)9-11(15)12(2)3/h6-7H,5,8-9H2,1-4H3/b7-6+.
What are the key properties of N,N-dimethyl-2-[methyl-[(E)-4-oxohex-2-enyl]amino]acetamide?
N,N-dimethyl-2-[methyl-[(E)-4-oxohex-2-enyl]amino]acetamide has a molecular weight of 212.29 g/mol, XLogP of 0.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[methyl-[(E)-4-oxohex-2-enyl]amino]acetamide is sourced from PubChem (CID 142388322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).