(Z)-N-(2-hydroxy-4-methylpentyl)-2-methylpent-2-enamide

C12H23NO2 — CID 103770798

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

About (Z)-N-(2-hydroxy-4-methylpentyl)-2-methylpent-2-enamide

(Z)-N-(2-hydroxy-4-methylpentyl)-2-methylpent-2-enamide (PubChem CID 103770798) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (Z)-N-(2-hydroxy-4-methylpentyl)-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2-hydroxy-4-methylpentyl)-2-methylpent-2-enamide
PubChem CID103770798
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(Z)-N-(2-hydroxy-4-methylpentyl)-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCC(O)CC(C)C
InChIInChI=1S/C12H23NO2/c1-5-6-10(4)12(15)13-8-11(14)7-9(2)3/h6,9,11,14H,5,7-8H2,1-4H3,(H,13,15)/b10-6-
InChIKeyQVPXNPHEESUDIQ-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-(2-hydroxy-4-methylpentyl)-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

Asenjonamide A
CID 139589507
N-(2-hydroxyethyl)-2,4-dimethyl-3-oxonon-4-enamide
CID 162816227
(3E,5E,7S,8S,10E,13E,15E,19S)-8-hydroxy-7,11,13,19-tetramethyl-1-azacycloicosa-3,5,10,13,15-pentaen-2-one
CID 135019823
(E)-N-(2-hydroxyethyl)-2,4-dimethyl-3-oxonon-4-enamide
CID 169492729
(2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide
CID 11357237
2-ethyl-N-(2-hydroxypropyl)but-2-enamide
CID 54085350
2-(1-Hydroxy-2-methylpropyl)-1,2-dihydropyrrol-5-one
CID 67325317
N-(4-hydroxy-2-methylpentyl)-2-methylprop-2-enamide
CID 87115704
N-(2-hydroxypentyl)-2-methylprop-2-enamide
CID 87123588
(E)-N-(2-hydroxypropyl)-2-methylhex-2-enamide
CID 88374581
(2E,6E)-N-(3-hydroxypentan-2-yl)-4,5-dimethylocta-2,6-dienamide
CID 89947087
(Z)-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]hex-4-en-3-one
CID 90934417

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-hydroxy-4-methylpentyl)-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-(2-hydroxy-4-methylpentyl)-2-methylpent-2-enamide (CID 103770798) is (Z)-N-(2-hydroxy-4-methylpentyl)-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-(2-hydroxy-4-methylpentyl)-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-(2-hydroxy-4-methylpentyl)-2-methylpent-2-enamide is CC/C=C(/C)C(=O)NCC(O)CC(C)C.
What is the InChIKey of (Z)-N-(2-hydroxy-4-methylpentyl)-2-methylpent-2-enamide?
The InChIKey is QVPXNPHEESUDIQ-POHAHGRESA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-6-10(4)12(15)13-8-11(14)7-9(2)3/h6,9,11,14H,5,7-8H2,1-4H3,(H,13,15)/b10-6-.
What are the key properties of (Z)-N-(2-hydroxy-4-methylpentyl)-2-methylpent-2-enamide?
(Z)-N-(2-hydroxy-4-methylpentyl)-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-(2-hydroxy-4-methylpentyl)-2-methylpent-2-enamide is sourced from PubChem (CID 103770798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).