N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)amino]propanamide

C29H37N3O3 — CID 10050623

IUPACN-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)amino]propanamide
SMILESCC(NC(=O)C(O)(c1ccccc1)C1CCCCC1)C(=O)NC1C2CN(Cc3ccccc3)CC21
InChIInChI=1S/C29H37N3O3/c1-20(27(33)31-26-24-18-32(19-25(24)26)17-21-11-5-2-6-12-21)30-28(34)29(35,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-3,5-8,11-14,20,23-26,35H,4,9-10,15-19H2,1H3,(H,30,34)(H,31,33)
InChIKeyLWSOXGXJLUEZTN-UHFFFAOYSA-N
MW475.63 g/mol
LogP3.21
Rot. Bonds8

About N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)amino]propanamide

N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)amino]propanamide (PubChem CID 10050623) has the molecular formula C29H37N3O3 and a molecular weight of 475.63 g/mol. Its IUPAC name is N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)amino]propanamide
PubChem CID10050623
Molecular FormulaC29H37N3O3
Molecular Weight475.63 g/mol
Exact Mass475.28
IUPAC NameN-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)amino]propanamide
SMILESCC(NC(=O)C(O)(c1ccccc1)C1CCCCC1)C(=O)NC1C2CN(Cc3ccccc3)CC21
InChIInChI=1S/C29H37N3O3/c1-20(27(33)31-26-24-18-32(19-25(24)26)17-21-11-5-2-6-12-21)30-28(34)29(35,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-3,5-8,11-14,20,23-26,35H,4,9-10,15-19H2,1H3,(H,30,34)(H,31,33)
InChIKeyLWSOXGXJLUEZTN-UHFFFAOYSA-N
XLogP3.21
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.63
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68905775
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-(4-phenoxyphenyl)acetamide
CID 11755574
(2R)-N-[[[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 16718276
2-cyclopentyl-2-hydroxy-N-[(5R)-3-[(2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 68901588
2-cyclopentyl-N-[(1S,5R)-3-[(3,4-dichlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
CID 10095718
2-cyclopentyl-2-hydroxy-N-[(1S,5R)-3-(naphthalen-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 10026270
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-cyclohexyl-2-hydroxy-N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
CID 11201313
N-[(5R)-3-[(3-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68904416
2-cyclopentyl-N-[3-[(3,4-dimethoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
CID 68905575
2-cyclohexyl-2-hydroxy-2-phenyl-N-[[[(1R,5S)-3-(pyridin-4-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]acetamide
CID 16717926
N-(3-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-phenylacetamide
CID 10067773

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)amino]propanamide?
The IUPAC name of N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)amino]propanamide (CID 10050623) is N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)amino]propanamide is CC(NC(=O)C(O)(c1ccccc1)C1CCCCC1)C(=O)NC1C2CN(Cc3ccccc3)CC21.
What is the InChIKey of N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)amino]propanamide?
The InChIKey is LWSOXGXJLUEZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O3/c1-20(27(33)31-26-24-18-32(19-25(24)26)17-21-11-5-2-6-12-21)30-28(34)29(35,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-3,5-8,11-14,20,23-26,35H,4,9-10,15-19H2,1H3,(H,30,34)(H,31,33).
What are the key properties of N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)amino]propanamide?
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)amino]propanamide has a molecular weight of 475.63 g/mol, XLogP of 3.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 10050623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).