N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide

C28H32N2O3 — CID 45370794

IUPACN-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide
SMILESCC(C)CC(CO)NC(=O)C(NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32N2O3/c1-20(2)18-24(19-31)29-28(33)26(23-16-10-5-11-17-23)30-27(32)25(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,20,24-26,31H,18-19H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyGZLCBJVZGDHROE-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.20
Rot. Bonds10

About N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide

N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide (PubChem CID 45370794) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide
PubChem CID45370794
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC NameN-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide
SMILESCC(C)CC(CO)NC(=O)C(NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32N2O3/c1-20(2)18-24(19-31)29-28(33)26(23-16-10-5-11-17-23)30-27(32)25(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,20,24-26,31H,18-19H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyGZLCBJVZGDHROE-UHFFFAOYSA-N
XLogP4.20
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide (CID 45370794) is N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide is CC(C)CC(CO)NC(=O)C(NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide?
The InChIKey is GZLCBJVZGDHROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-20(2)18-24(19-31)29-28(33)26(23-16-10-5-11-17-23)30-27(32)25(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,20,24-26,31H,18-19H2,1-2H3,(H,29,33)(H,30,32).
What are the key properties of N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide?
N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide has a molecular weight of 444.58 g/mol, XLogP of 4.20, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 45370794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).