(2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide

C27H34N2O2 — CID 91930079

IUPAC(2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
SMILESO=C(NC1[C@H]2CN(CCCc3ccccc3)C[C@@H]12)[C@@](O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C27H34N2O2/c30-26(27(31,22-15-7-8-16-22)21-13-5-2-6-14-21)28-25-23-18-29(19-24(23)25)17-9-12-20-10-3-1-4-11-20/h1-6,10-11,13-14,22-25,31H,7-9,12,15-19H2,(H,28,30)/t23-,24+,25?,27-/m1/s1
InChIKeyDJBRSVQJAQGQJK-MSKGHIIKSA-N
MW418.58 g/mol
LogP3.74
Rot. Bonds8

About (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide

(2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide (PubChem CID 91930079) has the molecular formula C27H34N2O2 and a molecular weight of 418.58 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
PubChem CID91930079
Molecular FormulaC27H34N2O2
Molecular Weight418.58 g/mol
Exact Mass418.26
IUPAC Name(2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
SMILESO=C(NC1[C@H]2CN(CCCc3ccccc3)C[C@@H]12)[C@@](O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C27H34N2O2/c30-26(27(31,22-15-7-8-16-22)21-13-5-2-6-14-21)28-25-23-18-29(19-24(23)25)17-9-12-20-10-3-1-4-11-20/h1-6,10-11,13-14,22-25,31H,7-9,12,15-19H2,(H,28,30)/t23-,24+,25?,27-/m1/s1
InChIKeyDJBRSVQJAQGQJK-MSKGHIIKSA-N
XLogP3.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide?
The IUPAC name of (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide (CID 91930079) is (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide?
The canonical SMILES for (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide is O=C(NC1[C@H]2CN(CCCc3ccccc3)C[C@@H]12)[C@@](O)(c1ccccc1)C1CCCC1.
What is the InChIKey of (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide?
The InChIKey is DJBRSVQJAQGQJK-MSKGHIIKSA-N. The full InChI is InChI=1S/C27H34N2O2/c30-26(27(31,22-15-7-8-16-22)21-13-5-2-6-14-21)28-25-23-18-29(19-24(23)25)17-9-12-20-10-3-1-4-11-20/h1-6,10-11,13-14,22-25,31H,7-9,12,15-19H2,(H,28,30)/t23-,24+,25?,27-/m1/s1.
What are the key properties of (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide?
(2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide has a molecular weight of 418.58 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide is sourced from PubChem (CID 91930079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).