2-cyclohexyl-N-[(1R,5S)-3-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide

C29H37N3O2 — CID 10411904

IUPAC2-cyclohexyl-N-[(1R,5S)-3-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NC1[C@H]2CN(CCC3CNc4ccccc43)C[C@@H]12)C(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C29H37N3O2/c33-28(29(34,21-9-3-1-4-10-21)22-11-5-2-6-12-22)31-27-24-18-32(19-25(24)27)16-15-20-17-30-26-14-8-7-13-23(20)26/h1,3-4,7-10,13-14,20,22,24-25,27,30,34H,2,5-6,11-12,15-19H2,(H,31,33)/t20?,24-,25+,27?,29?
InChIKeyATDRHGSDBRMQAX-SRBPAVMRSA-N
MW459.63 g/mol
LogP4.10
Rot. Bonds7

About 2-cyclohexyl-N-[(1R,5S)-3-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide

2-cyclohexyl-N-[(1R,5S)-3-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide (PubChem CID 10411904) has the molecular formula C29H37N3O2 and a molecular weight of 459.63 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(1R,5S)-3-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(1R,5S)-3-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
PubChem CID10411904
Molecular FormulaC29H37N3O2
Molecular Weight459.63 g/mol
Exact Mass459.29
IUPAC Name2-cyclohexyl-N-[(1R,5S)-3-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NC1[C@H]2CN(CCC3CNc4ccccc43)C[C@@H]12)C(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C29H37N3O2/c33-28(29(34,21-9-3-1-4-10-21)22-11-5-2-6-12-22)31-27-24-18-32(19-25(24)27)16-15-20-17-30-26-14-8-7-13-23(20)26/h1,3-4,7-10,13-14,20,22,24-25,27,30,34H,2,5-6,11-12,15-19H2,(H,31,33)/t20?,24-,25+,27?,29?
InChIKeyATDRHGSDBRMQAX-SRBPAVMRSA-N
XLogP4.10
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.63
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-cyclohexyl-N-[(1R,5S)-3-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide with MolForge

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Related Compounds

N-(3-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-phenylacetamide
CID 10067773
2-cyclopentyl-N-[(1R,5S)-3-heptyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
CID 10476022
(2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 91930079
N-[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68905775
2-cyclopentyl-2-hydroxy-N-[(5R)-3-(2-phenoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 68901547
2-cyclopentyl-2-hydroxy-N-[3-(2-phenoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 68901545
2-cyclopentyl-2-hydroxy-N-[3-[2-[4-(hydroxymethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 69028279
N-[3-[2-(4-chlorophenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68901585
2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[2-(4-sulfamoylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 68902806
2-cyclopentyl-2-hydroxy-N-[(5R)-3-[(2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 68901588
2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[(2,4,6-trimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 68904289
2-cyclopentyl-2-hydroxy-N-[(1S,5R)-3-(naphthalen-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 10026270

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(1R,5S)-3-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of 2-cyclohexyl-N-[(1R,5S)-3-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide (CID 10411904) is 2-cyclohexyl-N-[(1R,5S)-3-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for 2-cyclohexyl-N-[(1R,5S)-3-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for 2-cyclohexyl-N-[(1R,5S)-3-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide is O=C(NC1[C@H]2CN(CCC3CNc4ccccc43)C[C@@H]12)C(O)(c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[(1R,5S)-3-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide?
The InChIKey is ATDRHGSDBRMQAX-SRBPAVMRSA-N. The full InChI is InChI=1S/C29H37N3O2/c33-28(29(34,21-9-3-1-4-10-21)22-11-5-2-6-12-22)31-27-24-18-32(19-25(24)27)16-15-20-17-30-26-14-8-7-13-23(20)26/h1,3-4,7-10,13-14,20,22,24-25,27,30,34H,2,5-6,11-12,15-19H2,(H,31,33)/t20?,24-,25+,27?,29?.
What are the key properties of 2-cyclohexyl-N-[(1R,5S)-3-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide?
2-cyclohexyl-N-[(1R,5S)-3-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide has a molecular weight of 459.63 g/mol, XLogP of 4.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(1R,5S)-3-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 10411904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).