(2Z)-2-ethylidene-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-dimethylpent-3-enamide

C13H23NO2 — CID 146534420

IUPAC(2Z)-2-ethylidene-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-dimethylpent-3-enamide
SMILESC/C=C(\C(=O)NC(C)(C)CO)C(C)=C(C)C
InChIInChI=1S/C13H23NO2/c1-7-11(10(4)9(2)3)12(16)14-13(5,6)8-15/h7,15H,8H2,1-6H3,(H,14,16)/b11-7-
InChIKeyQAJXJHYRICPBSO-XFFZJAGNSA-N
MW225.33 g/mol
LogP2.18
Rot. Bonds4

About (2Z)-2-ethylidene-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-dimethylpent-3-enamide

(2Z)-2-ethylidene-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-dimethylpent-3-enamide (PubChem CID 146534420) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (2Z)-2-ethylidene-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-dimethylpent-3-enamide.

Molecular Properties

Compound Name(2Z)-2-ethylidene-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-dimethylpent-3-enamide
PubChem CID146534420
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(2Z)-2-ethylidene-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-dimethylpent-3-enamide
SMILESC/C=C(\C(=O)NC(C)(C)CO)C(C)=C(C)C
InChIInChI=1S/C13H23NO2/c1-7-11(10(4)9(2)3)12(16)14-13(5,6)8-15/h7,15H,8H2,1-6H3,(H,14,16)/b11-7-
InChIKeyQAJXJHYRICPBSO-XFFZJAGNSA-N
XLogP2.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylidene-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-dimethylpent-3-enamide?
The IUPAC name of (2Z)-2-ethylidene-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-dimethylpent-3-enamide (CID 146534420) is (2Z)-2-ethylidene-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-dimethylpent-3-enamide.
What is the SMILES notation for (2Z)-2-ethylidene-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-dimethylpent-3-enamide?
The canonical SMILES for (2Z)-2-ethylidene-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-dimethylpent-3-enamide is C/C=C(\C(=O)NC(C)(C)CO)C(C)=C(C)C.
What is the InChIKey of (2Z)-2-ethylidene-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-dimethylpent-3-enamide?
The InChIKey is QAJXJHYRICPBSO-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H23NO2/c1-7-11(10(4)9(2)3)12(16)14-13(5,6)8-15/h7,15H,8H2,1-6H3,(H,14,16)/b11-7-.
What are the key properties of (2Z)-2-ethylidene-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-dimethylpent-3-enamide?
(2Z)-2-ethylidene-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-dimethylpent-3-enamide has a molecular weight of 225.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-dimethylpent-3-enamide is sourced from PubChem (CID 146534420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).