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

C21H28N2O2 — CID 71718244

IUPACN-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-16(24)23-19(14-17-10-6-4-7-11-17)20(25)15-22-21(2,3)18-12-8-5-9-13-18/h4-13,19-20,22,25H,14-15H2,1-3H3,(H,23,24)/t19-,20+/m0/s1
InChIKeyAXROGFZPWYRKHK-VQTJNVASSA-N
MW340.47 g/mol
LogP2.62
Rot. Bonds8

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

N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]acetamide (PubChem CID 71718244) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]acetamide
PubChem CID71718244
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-16(24)23-19(14-17-10-6-4-7-11-17)20(25)15-22-21(2,3)18-12-8-5-9-13-18/h4-13,19-20,22,25H,14-15H2,1-3H3,(H,23,24)/t19-,20+/m0/s1
InChIKeyAXROGFZPWYRKHK-VQTJNVASSA-N
XLogP2.62
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.62
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]acetamide?
The IUPAC name of N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]acetamide (CID 71718244) is N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]acetamide is CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1ccccc1.
What is the InChIKey of N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]acetamide?
The InChIKey is AXROGFZPWYRKHK-VQTJNVASSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16(24)23-19(14-17-10-6-4-7-11-17)20(25)15-22-21(2,3)18-12-8-5-9-13-18/h4-13,19-20,22,25H,14-15H2,1-3H3,(H,23,24)/t19-,20+/m0/s1.
What are the key properties of N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]acetamide?
N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 2.62, 8 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]acetamide is sourced from PubChem (CID 71718244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).