N-[amino-[3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide

C28H37N3O2 — CID 69142749

IUPACN-[amino-[3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide
SMILESCC(c1ccccc1)N1CC2CC2(C(N)NC(=O)C(O)(c2ccccc2)C2CCCCC2)C1
InChIInChI=1S/C28H37N3O2/c1-20(21-11-5-2-6-12-21)31-18-24-17-27(24,19-31)25(29)30-26(32)28(33,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-3,5-8,11-14,20,23-25,33H,4,9-10,15-19,29H2,1H3,(H,30,32)
InChIKeyAZJYKTXHWKUKQY-UHFFFAOYSA-N
MW447.62 g/mol
LogP3.94
Rot. Bonds7

About N-[amino-[3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide

N-[amino-[3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide (PubChem CID 69142749) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is N-[amino-[3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[amino-[3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide
PubChem CID69142749
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC NameN-[amino-[3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide
SMILESCC(c1ccccc1)N1CC2CC2(C(N)NC(=O)C(O)(c2ccccc2)C2CCCCC2)C1
InChIInChI=1S/C28H37N3O2/c1-20(21-11-5-2-6-12-21)31-18-24-17-27(24,19-31)25(29)30-26(32)28(33,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-3,5-8,11-14,20,23-25,33H,4,9-10,15-19,29H2,1H3,(H,30,32)
InChIKeyAZJYKTXHWKUKQY-UHFFFAOYSA-N
XLogP3.94
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.62
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[amino-[3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide 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

2-cyclopentyl-2-hydroxy-2-phenylacetohydrazide
CID 71945316
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)amino]propanamide
CID 10050623
2-cyclohexyl-2-hydroxy-2-phenyl-N-[4-(propan-2-ylamino)but-2-ynyl]acetamide;hydrochloride
CID 19775509
(2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]acetamide
CID 69309723
N-[(3-benzhydryl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 11179117
(3aS,6aR)-2-(1-phenylethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120680201
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070
2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[(2,4,6-trimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 68904289
methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
CID 23323992
1-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone
CID 11652351
2-cyclohexyl-2-hydroxy-N-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-2-phenylacetamide
CID 14931307
N-[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68905775

Frequently Asked Questions

What is the IUPAC name of N-[amino-[3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[amino-[3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide (CID 69142749) is N-[amino-[3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[amino-[3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[amino-[3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide is CC(c1ccccc1)N1CC2CC2(C(N)NC(=O)C(O)(c2ccccc2)C2CCCCC2)C1.
What is the InChIKey of N-[amino-[3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide?
The InChIKey is AZJYKTXHWKUKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-20(21-11-5-2-6-12-21)31-18-24-17-27(24,19-31)25(29)30-26(32)28(33,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-3,5-8,11-14,20,23-25,33H,4,9-10,15-19,29H2,1H3,(H,30,32).
What are the key properties of N-[amino-[3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide?
N-[amino-[3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide has a molecular weight of 447.62 g/mol, XLogP of 3.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 69142749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).