N-[(2S,3S)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide

C31H32N2O2 — CID 164618064

IUPACN-[(2S,3S)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide
SMILESO=C(N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H32N2O2/c34-29(23-32-22-25-15-7-2-8-16-25)28(21-24-13-5-1-6-14-24)33-31(35)30(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28-30,32,34H,21-23H2,(H,33,35)/t28-,29-/m0/s1
InChIKeyPRXGHCUDNWBFEE-VMPREFPWSA-N
MW464.61 g/mol
LogP4.70
Rot. Bonds11

About N-[(2S,3S)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide

N-[(2S,3S)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide (PubChem CID 164618064) has the molecular formula C31H32N2O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-[(2S,3S)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(2S,3S)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide
PubChem CID164618064
Molecular FormulaC31H32N2O2
Molecular Weight464.61 g/mol
Exact Mass464.25
IUPAC NameN-[(2S,3S)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide
SMILESO=C(N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H32N2O2/c34-29(23-32-22-25-15-7-2-8-16-25)28(21-24-13-5-1-6-14-24)33-31(35)30(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28-30,32,34H,21-23H2,(H,33,35)/t28-,29-/m0/s1
InChIKeyPRXGHCUDNWBFEE-VMPREFPWSA-N
XLogP4.70
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[(2S,3S)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide (CID 164618064) is N-[(2S,3S)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(2S,3S)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(2S,3S)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide is O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S,3S)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide?
The InChIKey is PRXGHCUDNWBFEE-VMPREFPWSA-N. The full InChI is InChI=1S/C31H32N2O2/c34-29(23-32-22-25-15-7-2-8-16-25)28(21-24-13-5-1-6-14-24)33-31(35)30(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28-30,32,34H,21-23H2,(H,33,35)/t28-,29-/m0/s1.
What are the key properties of N-[(2S,3S)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide?
N-[(2S,3S)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide has a molecular weight of 464.61 g/mol, XLogP of 4.70, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 164618064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).