(E)-N,N,3-triethyl-2-hydroxy-2-methylpent-3-enamide

C12H23NO2 — CID 101364877

IUPAC(E)-N,N,3-triethyl-2-hydroxy-2-methylpent-3-enamide
SMILESC/C=C(\CC)C(C)(O)C(=O)N(CC)CC
InChIInChI=1S/C12H23NO2/c1-6-10(7-2)12(5,15)11(14)13(8-3)9-4/h6,15H,7-9H2,1-5H3/b10-6+
InChIKeyIQDTUQRHQAUZRH-UXBLZVDNSA-N
MW213.32 g/mol
LogP1.96
Rot. Bonds5

About (E)-N,N,3-triethyl-2-hydroxy-2-methylpent-3-enamide

(E)-N,N,3-triethyl-2-hydroxy-2-methylpent-3-enamide (PubChem CID 101364877) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (E)-N,N,3-triethyl-2-hydroxy-2-methylpent-3-enamide.

Molecular Properties

Compound Name(E)-N,N,3-triethyl-2-hydroxy-2-methylpent-3-enamide
PubChem CID101364877
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(E)-N,N,3-triethyl-2-hydroxy-2-methylpent-3-enamide
SMILESC/C=C(\CC)C(C)(O)C(=O)N(CC)CC
InChIInChI=1S/C12H23NO2/c1-6-10(7-2)12(5,15)11(14)13(8-3)9-4/h6,15H,7-9H2,1-5H3/b10-6+
InChIKeyIQDTUQRHQAUZRH-UXBLZVDNSA-N
XLogP1.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Vmxajqsuxcnzce-uxblzvdnsa-
CID 11600950
2-Hydroxy-2-methyl-3-methylidene-1-piperidin-1-ylpentan-1-one
CID 86093461
(E)-2-hydroxy-2,3-dimethyl-1-piperidin-1-ylpent-3-en-1-one
CID 134854489
2-Hydroxy-2,4-dimethyl-1-piperidin-1-ylpent-3-en-1-one
CID 134971090
(E)-N,N-diethyl-2-hydroxy-2-prop-2-enylpent-3-enamide
CID 134988054
2-(cyclohexen-1-yl)-N,N-diethyl-2-hydroxypropanamide
CID 101364878
N,N,2-triethyl-2-hydroxy-3-methylpent-3-enamide
CID 73025649
2-hydroxy-2-methyl-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 176864626
(E)-2-hydroxy-1-piperidin-1-yl-2-propylpent-3-en-1-one
CID 11499573
N,N-diethyl-2-(2-hydroxypropan-2-yl)-1-methylcycloprop-2-ene-1-carboxamide
CID 101517580

Frequently Asked Questions

What is the IUPAC name of (E)-N,N,3-triethyl-2-hydroxy-2-methylpent-3-enamide?
The IUPAC name of (E)-N,N,3-triethyl-2-hydroxy-2-methylpent-3-enamide (CID 101364877) is (E)-N,N,3-triethyl-2-hydroxy-2-methylpent-3-enamide.
What is the SMILES notation for (E)-N,N,3-triethyl-2-hydroxy-2-methylpent-3-enamide?
The canonical SMILES for (E)-N,N,3-triethyl-2-hydroxy-2-methylpent-3-enamide is C/C=C(\CC)C(C)(O)C(=O)N(CC)CC.
What is the InChIKey of (E)-N,N,3-triethyl-2-hydroxy-2-methylpent-3-enamide?
The InChIKey is IQDTUQRHQAUZRH-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H23NO2/c1-6-10(7-2)12(5,15)11(14)13(8-3)9-4/h6,15H,7-9H2,1-5H3/b10-6+.
What are the key properties of (E)-N,N,3-triethyl-2-hydroxy-2-methylpent-3-enamide?
(E)-N,N,3-triethyl-2-hydroxy-2-methylpent-3-enamide has a molecular weight of 213.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,3-triethyl-2-hydroxy-2-methylpent-3-enamide is sourced from PubChem (CID 101364877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).