N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride

C20H33ClN2O3 — CID 119589762

IUPACN-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
SMILESCOc1ccc(C(C)(C)C(=O)NC(CN)C2CCCCC2)cc1OC.Cl
InChIInChI=1S/C20H32N2O3.ClH/c1-20(2,15-10-11-17(24-3)18(12-15)25-4)19(23)22-16(13-21)14-8-6-5-7-9-14;/h10-12,14,16H,5-9,13,21H2,1-4H3,(H,22,23);1H
InChIKeyVZMBGZOHBLKHDZ-UHFFFAOYSA-N
MW384.95 g/mol
LogP3.43
Rot. Bonds7

About N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride (PubChem CID 119589762) has the molecular formula C20H33ClN2O3 and a molecular weight of 384.95 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
PubChem CID119589762
Molecular FormulaC20H33ClN2O3
Molecular Weight384.95 g/mol
Exact Mass384.22
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
SMILESCOc1ccc(C(C)(C)C(=O)NC(CN)C2CCCCC2)cc1OC.Cl
InChIInChI=1S/C20H32N2O3.ClH/c1-20(2,15-10-11-17(24-3)18(12-15)25-4)19(23)22-16(13-21)14-8-6-5-7-9-14;/h10-12,14,16H,5-9,13,21H2,1-4H3,(H,22,23);1H
InChIKeyVZMBGZOHBLKHDZ-UHFFFAOYSA-N
XLogP3.43
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 119590262
N-(2-amino-1-cyclohexylethyl)-2-methyl-2-(2-methylphenyl)propanamide
CID 119590911
N-(2-amino-1-cyclopropylethyl)-2-(4-chlorophenyl)-2-methylpropanamide
CID 119612723
N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
CID 119592013
N-(2-amino-1-cyclopropylethyl)-2-(3-chlorophenyl)-2-methylpropanamide
CID 119613199
N-butan-2-yl-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 110437705
N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119382877
N-(4-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 119475522
N-(2-amino-1-cyclohexylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119591423
N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide
CID 81485984
N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide
CID 106737408
N-(2-amino-1-cyclohexylethyl)-2-methoxy-5-nitrobenzamide;hydrochloride
CID 119591922

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride (CID 119589762) is N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride is COc1ccc(C(C)(C)C(=O)NC(CN)C2CCCCC2)cc1OC.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride?
The InChIKey is VZMBGZOHBLKHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3.ClH/c1-20(2,15-10-11-17(24-3)18(12-15)25-4)19(23)22-16(13-21)14-8-6-5-7-9-14;/h10-12,14,16H,5-9,13,21H2,1-4H3,(H,22,23);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride has a molecular weight of 384.95 g/mol, XLogP of 3.43, 7 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-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 119589762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).