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

C31H34N2O2 — CID 71717628

IUPACN-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-naphthalen-1-ylacetamide
SMILESCC(C)(NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C31H34N2O2/c1-31(2,26-17-7-4-8-18-26)32-22-29(34)28(20-23-12-5-3-6-13-23)33-30(35)21-25-16-11-15-24-14-9-10-19-27(24)25/h3-19,28-29,32,34H,20-22H2,1-2H3,(H,33,35)/t28-,29+/m0/s1
InChIKeyBJTHPUJYOHZDGS-URLMMPGGSA-N
MW466.63 g/mol
LogP5.00
Rot. Bonds10

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

N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-naphthalen-1-ylacetamide (PubChem CID 71717628) has the molecular formula C31H34N2O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-naphthalen-1-ylacetamide
PubChem CID71717628
Molecular FormulaC31H34N2O2
Molecular Weight466.63 g/mol
Exact Mass466.26
IUPAC NameN-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-naphthalen-1-ylacetamide
SMILESCC(C)(NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C31H34N2O2/c1-31(2,26-17-7-4-8-18-26)32-22-29(34)28(20-23-12-5-3-6-13-23)33-30(35)21-25-16-11-15-24-14-9-10-19-27(24)25/h3-19,28-29,32,34H,20-22H2,1-2H3,(H,33,35)/t28-,29+/m0/s1
InChIKeyBJTHPUJYOHZDGS-URLMMPGGSA-N
XLogP5.00
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 55.00
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-naphthalen-1-ylacetamide?
The IUPAC name of N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-naphthalen-1-ylacetamide (CID 71717628) is N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-naphthalen-1-ylacetamide is CC(C)(NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-naphthalen-1-ylacetamide?
The InChIKey is BJTHPUJYOHZDGS-URLMMPGGSA-N. The full InChI is InChI=1S/C31H34N2O2/c1-31(2,26-17-7-4-8-18-26)32-22-29(34)28(20-23-12-5-3-6-13-23)33-30(35)21-25-16-11-15-24-14-9-10-19-27(24)25/h3-19,28-29,32,34H,20-22H2,1-2H3,(H,33,35)/t28-,29+/m0/s1.
What are the key properties of N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-naphthalen-1-ylacetamide?
N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-2-naphthalen-1-ylacetamide has a molecular weight of 466.63 g/mol, XLogP of 5.00, 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-naphthalen-1-ylacetamide is sourced from PubChem (CID 71717628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).