(2R)-2-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide

C17H26N2O2 — CID 65120039

IUPAC(2R)-2-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide
SMILESCC1(C)CCC(O)(CNC(=O)[C@H](N)c2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-16(2)8-10-17(21,11-9-16)12-19-15(20)14(18)13-6-4-3-5-7-13/h3-7,14,21H,8-12,18H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyYWJCDWHHAIQJJF-CQSZACIVSA-N
MW290.41 g/mol
LogP2.13
Rot. Bonds4

About (2R)-2-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide

(2R)-2-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide (PubChem CID 65120039) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide
PubChem CID65120039
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2R)-2-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide
SMILESCC1(C)CCC(O)(CNC(=O)[C@H](N)c2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-16(2)8-10-17(21,11-9-16)12-19-15(20)14(18)13-6-4-3-5-7-13/h3-7,14,21H,8-12,18H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyYWJCDWHHAIQJJF-CQSZACIVSA-N
XLogP2.13
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 65119962
(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 81130040
2-amino-2-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide;hydrochloride
CID 119333913
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 106312443
1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433544
(2S)-2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-phenylacetamide
CID 104897629
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide
CID 65119076
1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436319
2-amino-N-(cyanomethyl)-2-phenylacetamide
CID 61253687
2-amino-N-(1-methylcyclopropyl)-2-phenylacetamide
CID 115747036
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 93083385

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide?
The IUPAC name of (2R)-2-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide (CID 65120039) is (2R)-2-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide is CC1(C)CCC(O)(CNC(=O)[C@H](N)c2ccccc2)CC1.
What is the InChIKey of (2R)-2-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide?
The InChIKey is YWJCDWHHAIQJJF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-16(2)8-10-17(21,11-9-16)12-19-15(20)14(18)13-6-4-3-5-7-13/h3-7,14,21H,8-12,18H2,1-2H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide?
(2R)-2-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide has a molecular weight of 290.41 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 65120039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).