N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-phenylacetamide

C27H32N2O2 — CID 71716998

IUPACN-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-phenylacetamide
SMILESCC(C)(NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C27H32N2O2/c1-27(2,23-16-10-5-11-17-23)28-20-25(30)24(18-21-12-6-3-7-13-21)29-26(31)19-22-14-8-4-9-15-22/h3-17,24-25,28,30H,18-20H2,1-2H3,(H,29,31)/t24-,25+/m0/s1
InChIKeyKCSMKURFVVURBC-LOSJGSFVSA-N
MW416.57 g/mol
LogP3.84
Rot. Bonds10

About N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-phenylacetamide

N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-phenylacetamide (PubChem CID 71716998) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-phenylacetamide
PubChem CID71716998
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC NameN-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-phenylacetamide
SMILESCC(C)(NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C27H32N2O2/c1-27(2,23-16-10-5-11-17-23)28-20-25(30)24(18-21-12-6-3-7-13-21)29-26(31)19-22-14-8-4-9-15-22/h3-17,24-25,28,30H,18-20H2,1-2H3,(H,29,31)/t24-,25+/m0/s1
InChIKeyKCSMKURFVVURBC-LOSJGSFVSA-N
XLogP3.84
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-phenylacetamide?
The IUPAC name of N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-phenylacetamide (CID 71716998) is N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-phenylacetamide is CC(C)(NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-phenylacetamide?
The InChIKey is KCSMKURFVVURBC-LOSJGSFVSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-27(2,23-16-10-5-11-17-23)28-20-25(30)24(18-21-12-6-3-7-13-21)29-26(31)19-22-14-8-4-9-15-22/h3-17,24-25,28,30H,18-20H2,1-2H3,(H,29,31)/t24-,25+/m0/s1.
What are the key properties of N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-phenylacetamide?
N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-phenylacetamide has a molecular weight of 416.57 g/mol, XLogP of 3.84, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-phenylacetamide is sourced from PubChem (CID 71716998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).