4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide;2-methyl-4-phenylbutan-1-imine

C24H33N3O3 — CID 142176901

IUPAC4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide;2-methyl-4-phenylbutan-1-imine
SMILESCN1CCOC(CNC(=O)c2ccc(O)cc2)C1.[H]/N=C/C(C)CCc1ccccc1
InChIInChI=1S/C13H18N2O3.C11H15N/c1-15-6-7-18-12(9-15)8-14-13(17)10-2-4-11(16)5-3-10;1-10(9-12)7-8-11-5-3-2-4-6-11/h2-5,12,16H,6-9H2,1H3,(H,14,17);2-6,9-10,12H,7-8H2,1H3/b;12-9+
InChIKeyXYZKIQAPNXXLSW-UWHSOXSGSA-N
MW411.55 g/mol
LogP3.36
Rot. Bonds7

About 4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide;2-methyl-4-phenylbutan-1-imine

4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide;2-methyl-4-phenylbutan-1-imine (PubChem CID 142176901) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide;2-methyl-4-phenylbutan-1-imine.

Molecular Properties

Compound Name4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide;2-methyl-4-phenylbutan-1-imine
PubChem CID142176901
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide;2-methyl-4-phenylbutan-1-imine
SMILESCN1CCOC(CNC(=O)c2ccc(O)cc2)C1.[H]/N=C/C(C)CCc1ccccc1
InChIInChI=1S/C13H18N2O3.C11H15N/c1-15-6-7-18-12(9-15)8-14-13(17)10-2-4-11(16)5-3-10;1-10(9-12)7-8-11-5-3-2-4-6-11/h2-5,12,16H,6-9H2,1H3,(H,14,17);2-6,9-10,12H,7-8H2,1H3/b;12-9+
InChIKeyXYZKIQAPNXXLSW-UWHSOXSGSA-N
XLogP3.36
TPSA85.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide;2-methyl-4-phenylbutan-1-imine 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

4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094765
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094780
N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]benzamide
CID 90904746
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(4-phenylbutan-2-yl)guanidine
CID 111172057
N-benzylformamide;N-[(4-methylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 142177144
4-(1H-benzimidazol-2-yl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
CID 126452002
3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79082923
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(4-propan-2-ylphenyl)propanamide
CID 94823939
5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 113432368
N-[2-(4-methylmorpholin-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 110709882

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide;2-methyl-4-phenylbutan-1-imine?
The IUPAC name of 4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide;2-methyl-4-phenylbutan-1-imine (CID 142176901) is 4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide;2-methyl-4-phenylbutan-1-imine.
What is the SMILES notation for 4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide;2-methyl-4-phenylbutan-1-imine?
The canonical SMILES for 4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide;2-methyl-4-phenylbutan-1-imine is CN1CCOC(CNC(=O)c2ccc(O)cc2)C1.[H]/N=C/C(C)CCc1ccccc1.
What is the InChIKey of 4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide;2-methyl-4-phenylbutan-1-imine?
The InChIKey is XYZKIQAPNXXLSW-UWHSOXSGSA-N. The full InChI is InChI=1S/C13H18N2O3.C11H15N/c1-15-6-7-18-12(9-15)8-14-13(17)10-2-4-11(16)5-3-10;1-10(9-12)7-8-11-5-3-2-4-6-11/h2-5,12,16H,6-9H2,1H3,(H,14,17);2-6,9-10,12H,7-8H2,1H3/b;12-9+.
What are the key properties of 4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide;2-methyl-4-phenylbutan-1-imine?
4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide;2-methyl-4-phenylbutan-1-imine has a molecular weight of 411.55 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide;2-methyl-4-phenylbutan-1-imine is sourced from PubChem (CID 142176901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).