(E)-N,N-diethyl-6-hydroxy-3,4,7-trimethyloct-3-enamide

C15H29NO2 — CID 101075964

IUPAC(E)-N,N-diethyl-6-hydroxy-3,4,7-trimethyloct-3-enamide
SMILESCCN(CC)C(=O)C/C(C)=C(\C)CC(O)C(C)C
InChIInChI=1S/C15H29NO2/c1-7-16(8-2)15(18)10-13(6)12(5)9-14(17)11(3)4/h11,14,17H,7-10H2,1-6H3/b13-12+
InChIKeyPLQBOFMQQKOWCQ-OUKQBFOZSA-N
MW255.40 g/mol
LogP2.99
Rot. Bonds7

About (E)-N,N-diethyl-6-hydroxy-3,4,7-trimethyloct-3-enamide

(E)-N,N-diethyl-6-hydroxy-3,4,7-trimethyloct-3-enamide (PubChem CID 101075964) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (E)-N,N-diethyl-6-hydroxy-3,4,7-trimethyloct-3-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-6-hydroxy-3,4,7-trimethyloct-3-enamide
PubChem CID101075964
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(E)-N,N-diethyl-6-hydroxy-3,4,7-trimethyloct-3-enamide
SMILESCCN(CC)C(=O)C/C(C)=C(\C)CC(O)C(C)C
InChIInChI=1S/C15H29NO2/c1-7-16(8-2)15(18)10-13(6)12(5)9-14(17)11(3)4/h11,14,17H,7-10H2,1-6H3/b13-12+
InChIKeyPLQBOFMQQKOWCQ-OUKQBFOZSA-N
XLogP2.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-6-hydroxy-3,4,7-trimethyloct-3-enamide?
The IUPAC name of (E)-N,N-diethyl-6-hydroxy-3,4,7-trimethyloct-3-enamide (CID 101075964) is (E)-N,N-diethyl-6-hydroxy-3,4,7-trimethyloct-3-enamide.
What is the SMILES notation for (E)-N,N-diethyl-6-hydroxy-3,4,7-trimethyloct-3-enamide?
The canonical SMILES for (E)-N,N-diethyl-6-hydroxy-3,4,7-trimethyloct-3-enamide is CCN(CC)C(=O)C/C(C)=C(\C)CC(O)C(C)C.
What is the InChIKey of (E)-N,N-diethyl-6-hydroxy-3,4,7-trimethyloct-3-enamide?
The InChIKey is PLQBOFMQQKOWCQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H29NO2/c1-7-16(8-2)15(18)10-13(6)12(5)9-14(17)11(3)4/h11,14,17H,7-10H2,1-6H3/b13-12+.
What are the key properties of (E)-N,N-diethyl-6-hydroxy-3,4,7-trimethyloct-3-enamide?
(E)-N,N-diethyl-6-hydroxy-3,4,7-trimethyloct-3-enamide has a molecular weight of 255.40 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-6-hydroxy-3,4,7-trimethyloct-3-enamide is sourced from PubChem (CID 101075964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).