(E)-N,N-diethyl-3-propylhex-4-enamide

C13H25NO — CID 13183965

IUPAC(E)-N,N-diethyl-3-propylhex-4-enamide
SMILESC/C=C/C(CCC)CC(=O)N(CC)CC
InChIInChI=1S/C13H25NO/c1-5-9-12(10-6-2)11-13(15)14(7-3)8-4/h5,9,12H,6-8,10-11H2,1-4H3/b9-5+
InChIKeyOWPCJCTXBFRUBZ-WEVVVXLNSA-N
MW211.35 g/mol
LogP3.24
Rot. Bonds7

About (E)-N,N-diethyl-3-propylhex-4-enamide

(E)-N,N-diethyl-3-propylhex-4-enamide (PubChem CID 13183965) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-propylhex-4-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-propylhex-4-enamide
PubChem CID13183965
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(E)-N,N-diethyl-3-propylhex-4-enamide
SMILESC/C=C/C(CCC)CC(=O)N(CC)CC
InChIInChI=1S/C13H25NO/c1-5-9-12(10-6-2)11-13(15)14(7-3)8-4/h5,9,12H,6-8,10-11H2,1-4H3/b9-5+
InChIKeyOWPCJCTXBFRUBZ-WEVVVXLNSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-(3-Cyclohexen-1-ylcarbonyl)piperidine
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1-Cyclohex-3-enylmethyl-piperidine-4-carboxylic acid diethylamide
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(5Z,8Z,11Z,14Z)-N,N-dipropylicosa-5,8,11,14-tetraenamide
CID 44270442
Cyclohexyl(3,6-dihydro-1(2H)-pyridinyl)methanone
CID 3047538
Pyrrolidine, 1-((6-methyl-3-cyclohexen-1-yl)carbonyl)-
CID 3050744
Piperidine, 1-((6-methyl-3-cyclohexen-1-yl)carbonyl)-
CID 3055356
(Cyclohex-2-en-1-yl)(3,6-dihydropyridin-1(2H)-yl)methanone
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Azepan-1-yl(cyclohex-3-en-1-yl)methanone
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N,N-Diisobutyloleamide
CID 6432882

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-3-propylhex-4-enamide?
The IUPAC name of (E)-N,N-diethyl-3-propylhex-4-enamide (CID 13183965) is (E)-N,N-diethyl-3-propylhex-4-enamide.
What is the SMILES notation for (E)-N,N-diethyl-3-propylhex-4-enamide?
The canonical SMILES for (E)-N,N-diethyl-3-propylhex-4-enamide is C/C=C/C(CCC)CC(=O)N(CC)CC.
What is the InChIKey of (E)-N,N-diethyl-3-propylhex-4-enamide?
The InChIKey is OWPCJCTXBFRUBZ-WEVVVXLNSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-9-12(10-6-2)11-13(15)14(7-3)8-4/h5,9,12H,6-8,10-11H2,1-4H3/b9-5+.
What are the key properties of (E)-N,N-diethyl-3-propylhex-4-enamide?
(E)-N,N-diethyl-3-propylhex-4-enamide has a molecular weight of 211.35 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3-propylhex-4-enamide is sourced from PubChem (CID 13183965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).