N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-2,2-diphenylacetamide

C34H38N2O2 — CID 164611185

IUPACN-[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-2,2-diphenylacetamide
SMILESCC(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C34H38N2O2/c1-25(2)30-20-12-15-27(21-30)23-35-24-32(37)31(22-26-13-6-3-7-14-26)36-34(38)33(28-16-8-4-9-17-28)29-18-10-5-11-19-29/h3-21,25,31-33,35,37H,22-24H2,1-2H3,(H,36,38)/t31-,32+/m0/s1
InChIKeyJNNOQIIIKZZGMK-AJQTZOPKSA-N
MW506.69 g/mol
LogP5.82
Rot. Bonds12

About N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-2,2-diphenylacetamide

N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-2,2-diphenylacetamide (PubChem CID 164611185) has the molecular formula C34H38N2O2 and a molecular weight of 506.69 g/mol. Its IUPAC name is N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-2,2-diphenylacetamide
PubChem CID164611185
Molecular FormulaC34H38N2O2
Molecular Weight506.69 g/mol
Exact Mass506.29
IUPAC NameN-[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-2,2-diphenylacetamide
SMILESCC(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C34H38N2O2/c1-25(2)30-20-12-15-27(21-30)23-35-24-32(37)31(22-26-13-6-3-7-14-26)36-34(38)33(28-16-8-4-9-17-28)29-18-10-5-11-19-29/h3-21,25,31-33,35,37H,22-24H2,1-2H3,(H,36,38)/t31-,32+/m0/s1
InChIKeyJNNOQIIIKZZGMK-AJQTZOPKSA-N
XLogP5.82
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.69
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 18471332
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CID 16109352
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CID 25163982
CID 25163982
CID 471935
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CID 71521073
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CID 453522
CID 453522
CID 460227
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CID 471224
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CID 23644703
CID 23644703

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-2,2-diphenylacetamide (CID 164611185) is N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-2,2-diphenylacetamide is CC(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-2,2-diphenylacetamide?
The InChIKey is JNNOQIIIKZZGMK-AJQTZOPKSA-N. The full InChI is InChI=1S/C34H38N2O2/c1-25(2)30-20-12-15-27(21-30)23-35-24-32(37)31(22-26-13-6-3-7-14-26)36-34(38)33(28-16-8-4-9-17-28)29-18-10-5-11-19-29/h3-21,25,31-33,35,37H,22-24H2,1-2H3,(H,36,38)/t31-,32+/m0/s1.
What are the key properties of N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-2,2-diphenylacetamide?
N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-2,2-diphenylacetamide has a molecular weight of 506.69 g/mol, XLogP of 5.82, 12 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-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 164611185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).