(Z)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpent-2-enamide

C12H23NO2 — CID 103772858

IUPAC(Z)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCC(C)(C)CCO
InChIInChI=1S/C12H23NO2/c1-5-6-10(2)11(15)13-9-12(3,4)7-8-14/h6,14H,5,7-9H2,1-4H3,(H,13,15)/b10-6-
InChIKeyQXCYFWVTBPDEPX-POHAHGRESA-N
MW213.32 g/mol
LogP1.87
Rot. Bonds6

About (Z)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpent-2-enamide

(Z)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpent-2-enamide (PubChem CID 103772858) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (Z)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpent-2-enamide
PubChem CID103772858
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(Z)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCC(C)(C)CCO
InChIInChI=1S/C12H23NO2/c1-5-6-10(2)11(15)13-9-12(3,4)7-8-14/h6,14H,5,7-9H2,1-4H3,(H,13,15)/b10-6-
InChIKeyQXCYFWVTBPDEPX-POHAHGRESA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpent-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Tert-butyl-2-hydroxy-1,2-dihydropyrrol-5-one
CID 12229418
N-(3-hydroxypropyl)-2-methylpent-2-enamide
CID 74876271
N-(4-hydroxybutyl)-2-methylidenehex-3-enamide
CID 123717922
N-(4-hydroxybutyl)-2-methylbut-2-enamide
CID 141245316
N-ethyl-5-hydroxy-2-methylpent-2-enamide
CID 141265834
6-hydroxy-2-methyl-N-propan-2-ylhex-2-enamide
CID 141458421
5-hydroxy-2-methyl-N-propylpent-2-enamide
CID 141458422
6-hydroxy-2-methyl-N-propylhex-2-enamide
CID 141458423
5-hydroxy-2-methyl-N-propan-2-ylpent-2-enamide
CID 141458429
N-ethyl-6-hydroxy-2-methylhex-2-enamide
CID 141458431
(E)-N-(4-hydroxybutyl)-2-methylbut-2-enamide
CID 156236869
(2E)-N-(3-hydroxy-2,2-dimethylpropyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide;methanamine
CID 170964425

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpent-2-enamide (CID 103772858) is (Z)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpent-2-enamide is CC/C=C(/C)C(=O)NCC(C)(C)CCO.
What is the InChIKey of (Z)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpent-2-enamide?
The InChIKey is QXCYFWVTBPDEPX-POHAHGRESA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-6-10(2)11(15)13-9-12(3,4)7-8-14/h6,14H,5,7-9H2,1-4H3,(H,13,15)/b10-6-.
What are the key properties of (Z)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpent-2-enamide?
(Z)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpent-2-enamide has a molecular weight of 213.32 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpent-2-enamide is sourced from PubChem (CID 103772858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).