2-acetyl-N,N-diethyl-2-methylhex-5-enamide

C13H23NO2 — CID 164665712

IUPAC2-acetyl-N,N-diethyl-2-methylhex-5-enamide
SMILESC=CCCC(C)(C(C)=O)C(=O)N(CC)CC
InChIInChI=1S/C13H23NO2/c1-6-9-10-13(5,11(4)15)12(16)14(7-2)8-3/h6H,1,7-10H2,2-5H3
InChIKeyNAZLEQPTLKLHCJ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.42
Rot. Bonds7

About 2-acetyl-N,N-diethyl-2-methylhex-5-enamide

2-acetyl-N,N-diethyl-2-methylhex-5-enamide (PubChem CID 164665712) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-acetyl-N,N-diethyl-2-methylhex-5-enamide.

Molecular Properties

Compound Name2-acetyl-N,N-diethyl-2-methylhex-5-enamide
PubChem CID164665712
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-acetyl-N,N-diethyl-2-methylhex-5-enamide
SMILESC=CCCC(C)(C(C)=O)C(=O)N(CC)CC
InChIInChI=1S/C13H23NO2/c1-6-9-10-13(5,11(4)15)12(16)14(7-2)8-3/h6H,1,7-10H2,2-5H3
InChIKeyNAZLEQPTLKLHCJ-UHFFFAOYSA-N
XLogP2.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N,N-diethyl-2-methylhex-5-enamide?
The IUPAC name of 2-acetyl-N,N-diethyl-2-methylhex-5-enamide (CID 164665712) is 2-acetyl-N,N-diethyl-2-methylhex-5-enamide.
What is the SMILES notation for 2-acetyl-N,N-diethyl-2-methylhex-5-enamide?
The canonical SMILES for 2-acetyl-N,N-diethyl-2-methylhex-5-enamide is C=CCCC(C)(C(C)=O)C(=O)N(CC)CC.
What is the InChIKey of 2-acetyl-N,N-diethyl-2-methylhex-5-enamide?
The InChIKey is NAZLEQPTLKLHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-6-9-10-13(5,11(4)15)12(16)14(7-2)8-3/h6H,1,7-10H2,2-5H3.
What are the key properties of 2-acetyl-N,N-diethyl-2-methylhex-5-enamide?
2-acetyl-N,N-diethyl-2-methylhex-5-enamide has a molecular weight of 225.33 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N,N-diethyl-2-methylhex-5-enamide is sourced from PubChem (CID 164665712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).