3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide

C32H34N2O2 — CID 170909427

IUPAC3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide
SMILESO=C(NCCc1ccccc1)C(O)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C32H34N2O2/c35-31(32(36)33-22-21-26-13-5-1-6-14-26)30(23-27-15-7-2-8-16-27)34(24-28-17-9-3-10-18-28)25-29-19-11-4-12-20-29/h1-20,30-31,35H,21-25H2,(H,33,36)
InChIKeyFJIBYKGUUXBYEQ-UHFFFAOYSA-N
MW478.64 g/mol
LogP5.02
Rot. Bonds12

About 3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide

3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide (PubChem CID 170909427) has the molecular formula C32H34N2O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide
PubChem CID170909427
Molecular FormulaC32H34N2O2
Molecular Weight478.64 g/mol
Exact Mass478.26
IUPAC Name3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide
SMILESO=C(NCCc1ccccc1)C(O)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C32H34N2O2/c35-31(32(36)33-22-21-26-13-5-1-6-14-26)30(23-27-15-7-2-8-16-27)34(24-28-17-9-3-10-18-28)25-29-19-11-4-12-20-29/h1-20,30-31,35H,21-25H2,(H,33,36)
InChIKeyFJIBYKGUUXBYEQ-UHFFFAOYSA-N
XLogP5.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 71521073
CID 71521073
CID 460227
CID 460227
CID 23647401
CID 23647401
CID 23647402
CID 23647402
CID 155920141
CID 155920141
CID 71520964
CID 71520964
CID 10207961
CID 10207961
CID 10278279
CID 10278279
CID 10280009
CID 10280009
CID 10301415
CID 10301415
CID 69413352
CID 69413352
CID 5482935
CID 5482935

Frequently Asked Questions

What is the IUPAC name of 3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide?
The IUPAC name of 3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide (CID 170909427) is 3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide?
The canonical SMILES for 3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide is O=C(NCCc1ccccc1)C(O)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide?
The InChIKey is FJIBYKGUUXBYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O2/c35-31(32(36)33-22-21-26-13-5-1-6-14-26)30(23-27-15-7-2-8-16-27)34(24-28-17-9-3-10-18-28)25-29-19-11-4-12-20-29/h1-20,30-31,35H,21-25H2,(H,33,36).
What are the key properties of 3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide?
3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide has a molecular weight of 478.64 g/mol, XLogP of 5.02, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 170909427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).