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

C22H26N2O2 — CID 11360090

IUPAC(2S)-N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-N-methyl-2-(4-methylphenyl)-2-phenylacetamide
SMILESCc1ccc([C@](O)(C(=O)N(C)CC2[C@H]3CNC[C@@H]23)c2ccccc2)cc1
InChIInChI=1S/C22H26N2O2/c1-15-8-10-17(11-9-15)22(26,16-6-4-3-5-7-16)21(25)24(2)14-20-18-12-23-13-19(18)20/h3-11,18-20,23,26H,12-14H2,1-2H3/t18-,19+,20?,22-/m0/s1
InChIKeyAOHYCLMVZRTVCE-CZJMCEMMSA-N
MW350.46 g/mol
LogP2.15
Rot. Bonds5

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

(2S)-N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-N-methyl-2-(4-methylphenyl)-2-phenylacetamide (PubChem CID 11360090) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (2S)-N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-N-methyl-2-(4-methylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-N-methyl-2-(4-methylphenyl)-2-phenylacetamide
PubChem CID11360090
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(2S)-N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-N-methyl-2-(4-methylphenyl)-2-phenylacetamide
SMILESCc1ccc([C@](O)(C(=O)N(C)CC2[C@H]3CNC[C@@H]23)c2ccccc2)cc1
InChIInChI=1S/C22H26N2O2/c1-15-8-10-17(11-9-15)22(26,16-6-4-3-5-7-16)21(25)24(2)14-20-18-12-23-13-19(18)20/h3-11,18-20,23,26H,12-14H2,1-2H3/t18-,19+,20?,22-/m0/s1
InChIKeyAOHYCLMVZRTVCE-CZJMCEMMSA-N
XLogP2.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-N-methyl-2,2-diphenylacetamide;(Z)-but-2-enedioic acid
CID 11641003
(2S)-N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-N,3-dimethyl-2-phenylbutanamide
CID 11233062
N-(cyclopropylmethyl)-2-hydroxy-N-methyl-2,2-diphenylacetamide
CID 110901041
3-azabicyclo[3.2.1]octan-8-ylmethyl 2-hydroxy-2-(4-methylphenyl)-2-phenylacetate
CID 68553182
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl 2-hydroxy-2,2-diphenylacetate;butanoic acid
CID 11640190
N-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-hydroxy-2-(4-methylphenyl)-2-phenylacetamide
CID 11487138
(3,3-dimethyl-3-azoniabicyclo[3.2.1]octan-8-yl)methyl 2-hydroxy-2-(4-methylphenyl)-2-phenylacetate
CID 25032027
[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 11551423
N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-hydroxy-3-methyl-2-phenylbutanamide;hydrochloride
CID 11544365
2-hydroxy-N-[[3-methyl-3-[(4-methylphenyl)methyl]-3-azoniabicyclo[3.1.0]hexan-6-yl]methyl]-2,2-diphenylacetamide iodide
CID 25031465
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl 2-hydroxy-3-methyl-2-phenylbutanoate;butanedioic acid
CID 11640101
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-N-methyl-2-(4-methylphenyl)-2-phenylacetamide?
The IUPAC name of (2S)-N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-N-methyl-2-(4-methylphenyl)-2-phenylacetamide (CID 11360090) is (2S)-N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-N-methyl-2-(4-methylphenyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-N-methyl-2-(4-methylphenyl)-2-phenylacetamide?
The canonical SMILES for (2S)-N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-N-methyl-2-(4-methylphenyl)-2-phenylacetamide is Cc1ccc([C@](O)(C(=O)N(C)CC2[C@H]3CNC[C@@H]23)c2ccccc2)cc1.
What is the InChIKey of (2S)-N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-N-methyl-2-(4-methylphenyl)-2-phenylacetamide?
The InChIKey is AOHYCLMVZRTVCE-CZJMCEMMSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15-8-10-17(11-9-15)22(26,16-6-4-3-5-7-16)21(25)24(2)14-20-18-12-23-13-19(18)20/h3-11,18-20,23,26H,12-14H2,1-2H3/t18-,19+,20?,22-/m0/s1.
What are the key properties of (2S)-N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-N-methyl-2-(4-methylphenyl)-2-phenylacetamide?
(2S)-N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-N-methyl-2-(4-methylphenyl)-2-phenylacetamide has a molecular weight of 350.46 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-N-methyl-2-(4-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 11360090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).