(2S)-2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-phenylacetamide

C17H27N3O — CID 104897629

IUPAC(2S)-2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-phenylacetamide
SMILESCN(C)C1(CNC(=O)[C@@H](N)c2ccccc2)CCCCC1
InChIInChI=1S/C17H27N3O/c1-20(2)17(11-7-4-8-12-17)13-19-16(21)15(18)14-9-5-3-6-10-14/h3,5-6,9-10,15H,4,7-8,11-13,18H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyFSWMVOZBDBBOFH-HNNXBMFYSA-N
MW289.42 g/mol
LogP2.07
Rot. Bonds5

About (2S)-2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-phenylacetamide

(2S)-2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-phenylacetamide (PubChem CID 104897629) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-phenylacetamide
PubChem CID104897629
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(2S)-2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-phenylacetamide
SMILESCN(C)C1(CNC(=O)[C@@H](N)c2ccccc2)CCCCC1
InChIInChI=1S/C17H27N3O/c1-20(2)17(11-7-4-8-12-17)13-19-16(21)15(18)14-9-5-3-6-10-14/h3,5-6,9-10,15H,4,7-8,11-13,18H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyFSWMVOZBDBBOFH-HNNXBMFYSA-N
XLogP2.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666652
1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436319
(2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide
CID 81494200
1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433544
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290396
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-phenylbutanamide
CID 4787583
2-amino-2-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide;hydrochloride
CID 119333913
(2R)-2-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide
CID 65120039
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanamide
CID 61248438
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-hydroxy-2-phenylacetamide
CID 111520491
(2S)-2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-phenylacetamide
CID 104897811
(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 81130040

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-phenylacetamide (CID 104897629) is (2S)-2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-phenylacetamide is CN(C)C1(CNC(=O)[C@@H](N)c2ccccc2)CCCCC1.
What is the InChIKey of (2S)-2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-phenylacetamide?
The InChIKey is FSWMVOZBDBBOFH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-20(2)17(11-7-4-8-12-17)13-19-16(21)15(18)14-9-5-3-6-10-14/h3,5-6,9-10,15H,4,7-8,11-13,18H2,1-2H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-phenylacetamide?
(2S)-2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-phenylacetamide has a molecular weight of 289.42 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-phenylacetamide is sourced from PubChem (CID 104897629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).