N-[(1R,2S)-2-[dimethylamino(phenyl)methyl]cyclohexyl]acetamide;hydrochloride

C17H27ClN2O — CID 175240823

IUPACN-[(1R,2S)-2-[dimethylamino(phenyl)methyl]cyclohexyl]acetamide;hydrochloride
SMILESCC(=O)N[C@@H]1CCCC[C@@H]1C(c1ccccc1)N(C)C.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-13(20)18-16-12-8-7-11-15(16)17(19(2)3)14-9-5-4-6-10-14;/h4-6,9-10,15-17H,7-8,11-12H2,1-3H3,(H,18,20);1H/t15-,16+,17?;/m0./s1
InChIKeyNWZXAKVHBYIJHX-XXJNWDAFSA-N
MW310.87 g/mol
LogP3.41
Rot. Bonds4

About N-[(1R,2S)-2-[dimethylamino(phenyl)methyl]cyclohexyl]acetamide;hydrochloride

N-[(1R,2S)-2-[dimethylamino(phenyl)methyl]cyclohexyl]acetamide;hydrochloride (PubChem CID 175240823) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[(1R,2S)-2-[dimethylamino(phenyl)methyl]cyclohexyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(1R,2S)-2-[dimethylamino(phenyl)methyl]cyclohexyl]acetamide;hydrochloride
PubChem CID175240823
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-[(1R,2S)-2-[dimethylamino(phenyl)methyl]cyclohexyl]acetamide;hydrochloride
SMILESCC(=O)N[C@@H]1CCCC[C@@H]1C(c1ccccc1)N(C)C.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-13(20)18-16-12-8-7-11-15(16)17(19(2)3)14-9-5-4-6-10-14;/h4-6,9-10,15-17H,7-8,11-12H2,1-3H3,(H,18,20);1H/t15-,16+,17?;/m0./s1
InChIKeyNWZXAKVHBYIJHX-XXJNWDAFSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2S)-2-[dimethylamino(phenyl)methyl]cycloheptan-1-ol;hydrochloride
CID 70600717
trans-(1R,2R)-2-[dimethylamino(phenyl)methyl]-N-propylcyclohexan-1-amine
CID 174463045
2-[dimethylamino(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 116908350
N-[2-[(2-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-2-fluorobenzamide;hydrochloride
CID 21110207
N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride
CID 172759321
N-[2-[(2-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-2-fluorobenzamide
CID 10110864
N-[(1R,2R)-2-(benzylsulfamoylamino)cyclohexyl]acetamide
CID 44518327
methyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate
CID 98077087
N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide
CID 7909419
2-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid
CID 55036450
N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127
1-benzhydryl-3-(2-methylcyclohexyl)urea
CID 108867484

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[dimethylamino(phenyl)methyl]cyclohexyl]acetamide;hydrochloride?
The IUPAC name of N-[(1R,2S)-2-[dimethylamino(phenyl)methyl]cyclohexyl]acetamide;hydrochloride (CID 175240823) is N-[(1R,2S)-2-[dimethylamino(phenyl)methyl]cyclohexyl]acetamide;hydrochloride.
What is the SMILES notation for N-[(1R,2S)-2-[dimethylamino(phenyl)methyl]cyclohexyl]acetamide;hydrochloride?
The canonical SMILES for N-[(1R,2S)-2-[dimethylamino(phenyl)methyl]cyclohexyl]acetamide;hydrochloride is CC(=O)N[C@@H]1CCCC[C@@H]1C(c1ccccc1)N(C)C.Cl.
What is the InChIKey of N-[(1R,2S)-2-[dimethylamino(phenyl)methyl]cyclohexyl]acetamide;hydrochloride?
The InChIKey is NWZXAKVHBYIJHX-XXJNWDAFSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-13(20)18-16-12-8-7-11-15(16)17(19(2)3)14-9-5-4-6-10-14;/h4-6,9-10,15-17H,7-8,11-12H2,1-3H3,(H,18,20);1H/t15-,16+,17?;/m0./s1.
What are the key properties of N-[(1R,2S)-2-[dimethylamino(phenyl)methyl]cyclohexyl]acetamide;hydrochloride?
N-[(1R,2S)-2-[dimethylamino(phenyl)methyl]cyclohexyl]acetamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[dimethylamino(phenyl)methyl]cyclohexyl]acetamide;hydrochloride is sourced from PubChem (CID 175240823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).