N-benzhydryl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide

C19H22N2O3 — CID 108508135

IUPACN-benzhydryl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
SMILESCC(C)(CO)NC(=O)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-19(2,13-22)21-18(24)17(23)20-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16,22H,13H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyZNBSKBYPKCGHTO-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.78
Rot. Bonds5

About N-benzhydryl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide

N-benzhydryl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide (PubChem CID 108508135) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-benzhydryl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide.

Molecular Properties

Compound NameN-benzhydryl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
PubChem CID108508135
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-benzhydryl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
SMILESCC(C)(CO)NC(=O)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-19(2,13-22)21-18(24)17(23)20-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16,22H,13H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyZNBSKBYPKCGHTO-UHFFFAOYSA-N
XLogP1.78
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzhydryl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide 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

2-(carbamoylamino)-N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylacetamide
CID 43500841
N-(2-chlorophenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 45000720
2-(4-benzhydrylpiperazin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-oxoacetamide
CID 108504797
2-methyl-2-(1-phenylethylamino)propan-1-ol
CID 60720568
(2R)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)-2-phenylpropanamide
CID 97436317
N'-benzhydryl-N-(4-hydroxyphenyl)oxamide
CID 108501977
N-(2-tert-butylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108530240
N-(2,6-diethylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108511574
N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-oxobutan-2-yl]benzamide
CID 110000733
N'-benzyl-N-(1-hydroxy-2-methylpropan-2-yl)-N'-phenyloxamide
CID 108528299
hydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride
CID 67107982
2,2-dimethyl-3,3-diphenylpropan-1-ol
CID 15315706

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
The IUPAC name of N-benzhydryl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide (CID 108508135) is N-benzhydryl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide.
What is the SMILES notation for N-benzhydryl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
The canonical SMILES for N-benzhydryl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide is CC(C)(CO)NC(=O)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
The InChIKey is ZNBSKBYPKCGHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-19(2,13-22)21-18(24)17(23)20-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16,22H,13H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-benzhydryl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
N-benzhydryl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide has a molecular weight of 326.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide is sourced from PubChem (CID 108508135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).