(E)-N,N-diethyl-2,3-dimethylhex-2-enamide

C12H23NO — CID 102303658

IUPAC(E)-N,N-diethyl-2,3-dimethylhex-2-enamide
SMILESCCC/C(C)=C(\C)C(=O)N(CC)CC
InChIInChI=1S/C12H23NO/c1-6-9-10(4)11(5)12(14)13(7-2)8-3/h6-9H2,1-5H3/b11-10+
InChIKeyFWGUFCNZLMEXMI-ZHACJKMWSA-N
MW197.32 g/mol
LogP2.99
Rot. Bonds5

About (E)-N,N-diethyl-2,3-dimethylhex-2-enamide

(E)-N,N-diethyl-2,3-dimethylhex-2-enamide (PubChem CID 102303658) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (E)-N,N-diethyl-2,3-dimethylhex-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-2,3-dimethylhex-2-enamide
PubChem CID102303658
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(E)-N,N-diethyl-2,3-dimethylhex-2-enamide
SMILESCCC/C(C)=C(\C)C(=O)N(CC)CC
InChIInChI=1S/C12H23NO/c1-6-9-10(4)11(5)12(14)13(7-2)8-3/h6-9H2,1-5H3/b11-10+
InChIKeyFWGUFCNZLMEXMI-ZHACJKMWSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-3-fluoro-2-(trifluoromethyl)-2-heptenamide
CID 129809586
N-diethyl geranylamine
CID 101641847
N,N-dibutyl-3-ethyl-2-(trifluoromethyl)pent-2-enamide
CID 10518823
2-Butenamide, N,N-diethyl-2,3-dimethyl-
CID 566252
1,4,5-Trimethyl-2,3-dihydropyridin-6-one
CID 15981614
N-(2,7-dimethyl-2,7-octadienyl)-N-methylacetamide
CID 129803101
(E)-N,N-diethyl-4-methylhept-3-enamide
CID 164682655
3-butyl-N,N-diethyl-2-fluorohept-2-enamide
CID 15737961
(E)-N,N-diethyl-2-methyldec-2-enamide
CID 12124211
(E)-N,N,2-triethylhept-2-enamide
CID 102303653
N,N,3-triethyl-2-methylpent-2-enamide
CID 102303654
2-cyclohexylidene-N,N-diethylpropanamide
CID 102303656

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-2,3-dimethylhex-2-enamide?
The IUPAC name of (E)-N,N-diethyl-2,3-dimethylhex-2-enamide (CID 102303658) is (E)-N,N-diethyl-2,3-dimethylhex-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-2,3-dimethylhex-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-2,3-dimethylhex-2-enamide is CCC/C(C)=C(\C)C(=O)N(CC)CC.
What is the InChIKey of (E)-N,N-diethyl-2,3-dimethylhex-2-enamide?
The InChIKey is FWGUFCNZLMEXMI-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H23NO/c1-6-9-10(4)11(5)12(14)13(7-2)8-3/h6-9H2,1-5H3/b11-10+.
What are the key properties of (E)-N,N-diethyl-2,3-dimethylhex-2-enamide?
(E)-N,N-diethyl-2,3-dimethylhex-2-enamide has a molecular weight of 197.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-2,3-dimethylhex-2-enamide is sourced from PubChem (CID 102303658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).