2-cyclopentyl-N-[(1R,5S)-3-[2-(3,4-dimethylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide

C28H36N2O2 — CID 10365534

IUPAC2-cyclopentyl-N-[(1R,5S)-3-[2-(3,4-dimethylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
SMILESCc1ccc(CCN2C[C@@H]3C(NC(=O)C(O)(c4ccccc4)C4CCCC4)[C@@H]3C2)cc1C
InChIInChI=1S/C28H36N2O2/c1-19-12-13-21(16-20(19)2)14-15-30-17-24-25(18-30)26(24)29-27(31)28(32,23-10-6-7-11-23)22-8-4-3-5-9-22/h3-5,8-9,12-13,16,23-26,32H,6-7,10-11,14-15,17-18H2,1-2H3,(H,29,31)/t24-,25+,26?,28?
InChIKeyCXHDLSIBBCDCEP-QNBWZUNJSA-N
MW432.61 g/mol
LogP3.97
Rot. Bonds7

About 2-cyclopentyl-N-[(1R,5S)-3-[2-(3,4-dimethylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide

2-cyclopentyl-N-[(1R,5S)-3-[2-(3,4-dimethylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide (PubChem CID 10365534) has the molecular formula C28H36N2O2 and a molecular weight of 432.61 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(1R,5S)-3-[2-(3,4-dimethylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(1R,5S)-3-[2-(3,4-dimethylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
PubChem CID10365534
Molecular FormulaC28H36N2O2
Molecular Weight432.61 g/mol
Exact Mass432.28
IUPAC Name2-cyclopentyl-N-[(1R,5S)-3-[2-(3,4-dimethylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
SMILESCc1ccc(CCN2C[C@@H]3C(NC(=O)C(O)(c4ccccc4)C4CCCC4)[C@@H]3C2)cc1C
InChIInChI=1S/C28H36N2O2/c1-19-12-13-21(16-20(19)2)14-15-30-17-24-25(18-30)26(24)29-27(31)28(32,23-10-6-7-11-23)22-8-4-3-5-9-22/h3-5,8-9,12-13,16,23-26,32H,6-7,10-11,14-15,17-18H2,1-2H3,(H,29,31)/t24-,25+,26?,28?
InChIKeyCXHDLSIBBCDCEP-QNBWZUNJSA-N
XLogP3.97
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(1R,5S)-3-[2-(3,4-dimethylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of 2-cyclopentyl-N-[(1R,5S)-3-[2-(3,4-dimethylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide (CID 10365534) is 2-cyclopentyl-N-[(1R,5S)-3-[2-(3,4-dimethylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(1R,5S)-3-[2-(3,4-dimethylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for 2-cyclopentyl-N-[(1R,5S)-3-[2-(3,4-dimethylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide is Cc1ccc(CCN2C[C@@H]3C(NC(=O)C(O)(c4ccccc4)C4CCCC4)[C@@H]3C2)cc1C.
What is the InChIKey of 2-cyclopentyl-N-[(1R,5S)-3-[2-(3,4-dimethylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide?
The InChIKey is CXHDLSIBBCDCEP-QNBWZUNJSA-N. The full InChI is InChI=1S/C28H36N2O2/c1-19-12-13-21(16-20(19)2)14-15-30-17-24-25(18-30)26(24)29-27(31)28(32,23-10-6-7-11-23)22-8-4-3-5-9-22/h3-5,8-9,12-13,16,23-26,32H,6-7,10-11,14-15,17-18H2,1-2H3,(H,29,31)/t24-,25+,26?,28?.
What are the key properties of 2-cyclopentyl-N-[(1R,5S)-3-[2-(3,4-dimethylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide?
2-cyclopentyl-N-[(1R,5S)-3-[2-(3,4-dimethylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide has a molecular weight of 432.61 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(1R,5S)-3-[2-(3,4-dimethylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 10365534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).