N-[(1R,2R)-2-(diethylaminomethyl)cyclohexyl]-4-(2-ethoxyethoxy)benzamide

C22H36N2O3 — CID 24872684

IUPACN-[(1R,2R)-2-(diethylaminomethyl)cyclohexyl]-4-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2CN(CC)CC)cc1
InChIInChI=1S/C22H36N2O3/c1-4-24(5-2)17-19-9-7-8-10-21(19)23-22(25)18-11-13-20(14-12-18)27-16-15-26-6-3/h11-14,19,21H,4-10,15-17H2,1-3H3,(H,23,25)/t19-,21-/m1/s1
InChIKeyZLJPPIYZCFRROG-TZIWHRDSSA-N
MW376.54 g/mol
LogP3.73
Rot. Bonds11

About N-[(1R,2R)-2-(diethylaminomethyl)cyclohexyl]-4-(2-ethoxyethoxy)benzamide

N-[(1R,2R)-2-(diethylaminomethyl)cyclohexyl]-4-(2-ethoxyethoxy)benzamide (PubChem CID 24872684) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is N-[(1R,2R)-2-(diethylaminomethyl)cyclohexyl]-4-(2-ethoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(diethylaminomethyl)cyclohexyl]-4-(2-ethoxyethoxy)benzamide
PubChem CID24872684
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC NameN-[(1R,2R)-2-(diethylaminomethyl)cyclohexyl]-4-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2CN(CC)CC)cc1
InChIInChI=1S/C22H36N2O3/c1-4-24(5-2)17-19-9-7-8-10-21(19)23-22(25)18-11-13-20(14-12-18)27-16-15-26-6-3/h11-14,19,21H,4-10,15-17H2,1-3H3,(H,23,25)/t19-,21-/m1/s1
InChIKeyZLJPPIYZCFRROG-TZIWHRDSSA-N
XLogP3.73
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethoxyethoxy)-N-[2-[[ethyl(propyl)amino]methyl]cyclohexyl]benzamide
CID 143571154
N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide
CID 119610066
4-ethoxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751428
N-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide
CID 106365883
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-methoxybenzamide
CID 110279273
N-(cyclohexylcarbamothioyl)-4-(2-ethoxyethoxy)benzamide
CID 17112920
4-(2-methoxyethoxy)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24873264
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-fluorobenzamide
CID 110279233
N-cyclohexyl-4-propoxybenzamide
CID 4938429
N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide
CID 106367084
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
CID 119609783

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(diethylaminomethyl)cyclohexyl]-4-(2-ethoxyethoxy)benzamide?
The IUPAC name of N-[(1R,2R)-2-(diethylaminomethyl)cyclohexyl]-4-(2-ethoxyethoxy)benzamide (CID 24872684) is N-[(1R,2R)-2-(diethylaminomethyl)cyclohexyl]-4-(2-ethoxyethoxy)benzamide.
What is the SMILES notation for N-[(1R,2R)-2-(diethylaminomethyl)cyclohexyl]-4-(2-ethoxyethoxy)benzamide?
The canonical SMILES for N-[(1R,2R)-2-(diethylaminomethyl)cyclohexyl]-4-(2-ethoxyethoxy)benzamide is CCOCCOc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2CN(CC)CC)cc1.
What is the InChIKey of N-[(1R,2R)-2-(diethylaminomethyl)cyclohexyl]-4-(2-ethoxyethoxy)benzamide?
The InChIKey is ZLJPPIYZCFRROG-TZIWHRDSSA-N. The full InChI is InChI=1S/C22H36N2O3/c1-4-24(5-2)17-19-9-7-8-10-21(19)23-22(25)18-11-13-20(14-12-18)27-16-15-26-6-3/h11-14,19,21H,4-10,15-17H2,1-3H3,(H,23,25)/t19-,21-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(diethylaminomethyl)cyclohexyl]-4-(2-ethoxyethoxy)benzamide?
N-[(1R,2R)-2-(diethylaminomethyl)cyclohexyl]-4-(2-ethoxyethoxy)benzamide has a molecular weight of 376.54 g/mol, XLogP of 3.73, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(diethylaminomethyl)cyclohexyl]-4-(2-ethoxyethoxy)benzamide is sourced from PubChem (CID 24872684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).