3-[(1S,2S)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N,N-diethylbenzamide

C20H32N2O2 — CID 24866825

IUPAC3-[(1S,2S)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc([C@]2(O)CCCC[C@H]2CN(C)C)c1
InChIInChI=1S/C20H32N2O2/c1-5-22(6-2)19(23)16-10-9-12-17(14-16)20(24)13-8-7-11-18(20)15-21(3)4/h9-10,12,14,18,24H,5-8,11,13,15H2,1-4H3/t18-,20+/m0/s1
InChIKeyLYIXSCACGMWQSI-AZUAARDMSA-N
MW332.49 g/mol
LogP3.11
Rot. Bonds6

About 3-[(1S,2S)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N,N-diethylbenzamide

3-[(1S,2S)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N,N-diethylbenzamide (PubChem CID 24866825) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 3-[(1S,2S)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[(1S,2S)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N,N-diethylbenzamide
PubChem CID24866825
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name3-[(1S,2S)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc([C@]2(O)CCCC[C@H]2CN(C)C)c1
InChIInChI=1S/C20H32N2O2/c1-5-22(6-2)19(23)16-10-9-12-17(14-16)20(24)13-8-7-11-18(20)15-21(3)4/h9-10,12,14,18,24H,5-8,11,13,15H2,1-4H3/t18-,20+/m0/s1
InChIKeyLYIXSCACGMWQSI-AZUAARDMSA-N
XLogP3.11
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N-methylbenzamide
CID 11572860
N-cyclopropyl-3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide
CID 24867158
2-[(dimethylamino)methyl]-1-(3-nitrosophenyl)cyclohexan-1-ol
CID 138487256
cis-(1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 10017651
[3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenyl] 2-hydroxybenzoate;hydrochloride
CID 76966629
cis-(1S,2S)-1-(3-deuteriooxyphenyl)-2-[[methyl(trideuteriomethyl)amino]methyl]cyclohexan-1-ol
CID 25182362
bis(cis-(1S,2S)-2-[[bis(trideuteriomethyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol);hydrochloride
CID 160528339
[3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenyl] 2-[1-(acetamidomethyl)cyclohexyl]acetate
CID 54588045
[3-[(1S,2S)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenyl] 2-[1-[(methoxycarbonylamino)methyl]cyclohexyl]acetate
CID 54588734
[3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenyl] 2-hydroxy-4-methoxybenzoate
CID 10294357
cis-(1R,2R)-1-[3-chloro-4-(dimethylamino)phenyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 134354580
[3-[(1S,2S)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenyl] (3S)-3-[(ethoxycarbonylamino)methyl]-5-methylhexanoate
CID 67146992

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2S)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N,N-diethylbenzamide?
The IUPAC name of 3-[(1S,2S)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N,N-diethylbenzamide (CID 24866825) is 3-[(1S,2S)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[(1S,2S)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N,N-diethylbenzamide?
The canonical SMILES for 3-[(1S,2S)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc([C@]2(O)CCCC[C@H]2CN(C)C)c1.
What is the InChIKey of 3-[(1S,2S)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N,N-diethylbenzamide?
The InChIKey is LYIXSCACGMWQSI-AZUAARDMSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-5-22(6-2)19(23)16-10-9-12-17(14-16)20(24)13-8-7-11-18(20)15-21(3)4/h9-10,12,14,18,24H,5-8,11,13,15H2,1-4H3/t18-,20+/m0/s1.
What are the key properties of 3-[(1S,2S)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N,N-diethylbenzamide?
3-[(1S,2S)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N,N-diethylbenzamide has a molecular weight of 332.49 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2S)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N,N-diethylbenzamide is sourced from PubChem (CID 24866825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).