N-(2-amino-3-methylphenyl)-4-[(Z)-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzamide

C26H35N3O2 — CID 142389610

IUPACN-(2-amino-3-methylphenyl)-4-[(Z)-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzamide
SMILESCc1cccc(NC(=O)c2ccc(/C=C3/CCN(CC(C)(C)O)C(C)(C)C3)cc2)c1N
InChIInChI=1S/C26H35N3O2/c1-18-7-6-8-22(23(18)27)28-24(30)21-11-9-19(10-12-21)15-20-13-14-29(17-26(4,5)31)25(2,3)16-20/h6-12,15,31H,13-14,16-17,27H2,1-5H3,(H,28,30)/b20-15-
InChIKeyRAJNPVMXWYMWDR-HKWRFOASSA-N
MW421.59 g/mol
LogP4.86
Rot. Bonds5

About N-(2-amino-3-methylphenyl)-4-[(Z)-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzamide

N-(2-amino-3-methylphenyl)-4-[(Z)-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzamide (PubChem CID 142389610) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-(2-amino-3-methylphenyl)-4-[(Z)-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-3-methylphenyl)-4-[(Z)-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzamide
PubChem CID142389610
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC NameN-(2-amino-3-methylphenyl)-4-[(Z)-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzamide
SMILESCc1cccc(NC(=O)c2ccc(/C=C3/CCN(CC(C)(C)O)C(C)(C)C3)cc2)c1N
InChIInChI=1S/C26H35N3O2/c1-18-7-6-8-22(23(18)27)28-24(30)21-11-9-19(10-12-21)15-20-13-14-29(17-26(4,5)31)25(2,3)16-20/h6-12,15,31H,13-14,16-17,27H2,1-5H3,(H,28,30)/b20-15-
InChIKeyRAJNPVMXWYMWDR-HKWRFOASSA-N
XLogP4.86
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-amino-3-methylphenyl)-4-[(Z)-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methylphenyl)-4-[(Z)-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzamide?
The IUPAC name of N-(2-amino-3-methylphenyl)-4-[(Z)-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzamide (CID 142389610) is N-(2-amino-3-methylphenyl)-4-[(Z)-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzamide.
What is the SMILES notation for N-(2-amino-3-methylphenyl)-4-[(Z)-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzamide?
The canonical SMILES for N-(2-amino-3-methylphenyl)-4-[(Z)-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzamide is Cc1cccc(NC(=O)c2ccc(/C=C3/CCN(CC(C)(C)O)C(C)(C)C3)cc2)c1N.
What is the InChIKey of N-(2-amino-3-methylphenyl)-4-[(Z)-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzamide?
The InChIKey is RAJNPVMXWYMWDR-HKWRFOASSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-18-7-6-8-22(23(18)27)28-24(30)21-11-9-19(10-12-21)15-20-13-14-29(17-26(4,5)31)25(2,3)16-20/h6-12,15,31H,13-14,16-17,27H2,1-5H3,(H,28,30)/b20-15-.
What are the key properties of N-(2-amino-3-methylphenyl)-4-[(Z)-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzamide?
N-(2-amino-3-methylphenyl)-4-[(Z)-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzamide has a molecular weight of 421.59 g/mol, XLogP of 4.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-methylphenyl)-4-[(Z)-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzamide is sourced from PubChem (CID 142389610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).