N-benzyl-3-(dibenzylamino)-2-hydroxy-4-phenylbutanamide

C31H32N2O2 — CID 170909444

IUPACN-benzyl-3-(dibenzylamino)-2-hydroxy-4-phenylbutanamide
SMILESO=C(NCc1ccccc1)C(O)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H32N2O2/c34-30(31(35)32-22-26-15-7-2-8-16-26)29(21-25-13-5-1-6-14-25)33(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20,29-30,34H,21-24H2,(H,32,35)
InChIKeyLVVBUCLOYRGATO-UHFFFAOYSA-N
MW464.61 g/mol
LogP4.98
Rot. Bonds11

About N-benzyl-3-(dibenzylamino)-2-hydroxy-4-phenylbutanamide

N-benzyl-3-(dibenzylamino)-2-hydroxy-4-phenylbutanamide (PubChem CID 170909444) has the molecular formula C31H32N2O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-benzyl-3-(dibenzylamino)-2-hydroxy-4-phenylbutanamide.

Molecular Properties

Compound NameN-benzyl-3-(dibenzylamino)-2-hydroxy-4-phenylbutanamide
PubChem CID170909444
Molecular FormulaC31H32N2O2
Molecular Weight464.61 g/mol
Exact Mass464.25
IUPAC NameN-benzyl-3-(dibenzylamino)-2-hydroxy-4-phenylbutanamide
SMILESO=C(NCc1ccccc1)C(O)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H32N2O2/c34-30(31(35)32-22-26-15-7-2-8-16-26)29(21-25-13-5-1-6-14-25)33(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20,29-30,34H,21-24H2,(H,32,35)
InChIKeyLVVBUCLOYRGATO-UHFFFAOYSA-N
XLogP4.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(dibenzylamino)-2-hydroxy-4-phenylbutanamide?
The IUPAC name of N-benzyl-3-(dibenzylamino)-2-hydroxy-4-phenylbutanamide (CID 170909444) is N-benzyl-3-(dibenzylamino)-2-hydroxy-4-phenylbutanamide.
What is the SMILES notation for N-benzyl-3-(dibenzylamino)-2-hydroxy-4-phenylbutanamide?
The canonical SMILES for N-benzyl-3-(dibenzylamino)-2-hydroxy-4-phenylbutanamide is O=C(NCc1ccccc1)C(O)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-(dibenzylamino)-2-hydroxy-4-phenylbutanamide?
The InChIKey is LVVBUCLOYRGATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O2/c34-30(31(35)32-22-26-15-7-2-8-16-26)29(21-25-13-5-1-6-14-25)33(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20,29-30,34H,21-24H2,(H,32,35).
What are the key properties of N-benzyl-3-(dibenzylamino)-2-hydroxy-4-phenylbutanamide?
N-benzyl-3-(dibenzylamino)-2-hydroxy-4-phenylbutanamide has a molecular weight of 464.61 g/mol, XLogP of 4.98, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(dibenzylamino)-2-hydroxy-4-phenylbutanamide is sourced from PubChem (CID 170909444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).