2-[(2-hydroxy-1-phenylethyl)amino]-N-methyl-N-(2-methylcyclohexyl)acetamide

C18H28N2O2 — CID 86786786

IUPAC2-[(2-hydroxy-1-phenylethyl)amino]-N-methyl-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1N(C)C(=O)CNC(CO)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-14-8-6-7-11-17(14)20(2)18(22)12-19-16(13-21)15-9-4-3-5-10-15/h3-5,9-10,14,16-17,19,21H,6-8,11-13H2,1-2H3
InChIKeyQNCDNLMZDLPLEN-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.35
Rot. Bonds6

About 2-[(2-hydroxy-1-phenylethyl)amino]-N-methyl-N-(2-methylcyclohexyl)acetamide

2-[(2-hydroxy-1-phenylethyl)amino]-N-methyl-N-(2-methylcyclohexyl)acetamide (PubChem CID 86786786) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[(2-hydroxy-1-phenylethyl)amino]-N-methyl-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-1-phenylethyl)amino]-N-methyl-N-(2-methylcyclohexyl)acetamide
PubChem CID86786786
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-[(2-hydroxy-1-phenylethyl)amino]-N-methyl-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1N(C)C(=O)CNC(CO)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-14-8-6-7-11-17(14)20(2)18(22)12-19-16(13-21)15-9-4-3-5-10-15/h3-5,9-10,14,16-17,19,21H,6-8,11-13H2,1-2H3
InChIKeyQNCDNLMZDLPLEN-UHFFFAOYSA-N
XLogP2.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylacetamide
CID 104897433
3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylpropanamide
CID 62877491
N-cyclohexyl-N-methyl-2-(1-phenylethylamino)acetamide
CID 54815225
tert-butyl 2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetate
CID 15391419
2-(cyclopentylamino)-N-methyl-N-(2-methylcyclohexyl)acetamide
CID 60939306
3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62879130
N-methyl-N-(2-methylcyclohexyl)propanamide
CID 60735521
3-(4-aminophenyl)-N-methyl-N-(2-methylcyclohexyl)butanamide
CID 104502286
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021
2-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 107862038
2-(cyclopentylamino)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184083

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-1-phenylethyl)amino]-N-methyl-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[(2-hydroxy-1-phenylethyl)amino]-N-methyl-N-(2-methylcyclohexyl)acetamide (CID 86786786) is 2-[(2-hydroxy-1-phenylethyl)amino]-N-methyl-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(2-hydroxy-1-phenylethyl)amino]-N-methyl-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[(2-hydroxy-1-phenylethyl)amino]-N-methyl-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1N(C)C(=O)CNC(CO)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxy-1-phenylethyl)amino]-N-methyl-N-(2-methylcyclohexyl)acetamide?
The InChIKey is QNCDNLMZDLPLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14-8-6-7-11-17(14)20(2)18(22)12-19-16(13-21)15-9-4-3-5-10-15/h3-5,9-10,14,16-17,19,21H,6-8,11-13H2,1-2H3.
What are the key properties of 2-[(2-hydroxy-1-phenylethyl)amino]-N-methyl-N-(2-methylcyclohexyl)acetamide?
2-[(2-hydroxy-1-phenylethyl)amino]-N-methyl-N-(2-methylcyclohexyl)acetamide has a molecular weight of 304.43 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-1-phenylethyl)amino]-N-methyl-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 86786786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).