N-(2-amino-1-cyclohexylethyl)-2,3-dimethoxybenzamide;hydrochloride

C17H27ClN2O3 — CID 119591832

IUPACN-(2-amino-1-cyclohexylethyl)-2,3-dimethoxybenzamide;hydrochloride
SMILESCOc1cccc(C(=O)NC(CN)C2CCCCC2)c1OC.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-21-15-10-6-9-13(16(15)22-2)17(20)19-14(11-18)12-7-4-3-5-8-12;/h6,9-10,12,14H,3-5,7-8,11,18H2,1-2H3,(H,19,20);1H
InChIKeyAPONVJFLTPKKNI-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.76
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-2,3-dimethoxybenzamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-2,3-dimethoxybenzamide;hydrochloride (PubChem CID 119591832) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2,3-dimethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2,3-dimethoxybenzamide;hydrochloride
PubChem CID119591832
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2,3-dimethoxybenzamide;hydrochloride
SMILESCOc1cccc(C(=O)NC(CN)C2CCCCC2)c1OC.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-21-15-10-6-9-13(16(15)22-2)17(20)19-14(11-18)12-7-4-3-5-8-12;/h6,9-10,12,14H,3-5,7-8,11,18H2,1-2H3,(H,19,20);1H
InChIKeyAPONVJFLTPKKNI-UHFFFAOYSA-N
XLogP2.76
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 65188794
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N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride
CID 119591989
N-(2-amino-1-cyclopentylethyl)-4-chloro-2-methoxybenzamide
CID 106737554
N-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethoxy)benzamide
CID 119591890
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CID 106737604
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
CID 119592013
N-(2-amino-1-cyclohexylethyl)-2-methoxy-5-nitrobenzamide;hydrochloride
CID 119591922
N-(2-amino-1-cyclohexylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119591423
N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide
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CID 65188485

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2,3-dimethoxybenzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2,3-dimethoxybenzamide;hydrochloride (CID 119591832) is N-(2-amino-1-cyclohexylethyl)-2,3-dimethoxybenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2,3-dimethoxybenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2,3-dimethoxybenzamide;hydrochloride is COc1cccc(C(=O)NC(CN)C2CCCCC2)c1OC.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2,3-dimethoxybenzamide;hydrochloride?
The InChIKey is APONVJFLTPKKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-21-15-10-6-9-13(16(15)22-2)17(20)19-14(11-18)12-7-4-3-5-8-12;/h6,9-10,12,14H,3-5,7-8,11,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2,3-dimethoxybenzamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2,3-dimethoxybenzamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2,3-dimethoxybenzamide;hydrochloride is sourced from PubChem (CID 119591832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).