N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride

C18H29ClN2O3 — CID 119592013

IUPACN-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
SMILESCOc1cc(C(=O)NC(CN)C2CCCCC2)cc(OC)c1C.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-12-16(22-2)9-14(10-17(12)23-3)18(21)20-15(11-19)13-7-5-4-6-8-13;/h9-10,13,15H,4-8,11,19H2,1-3H3,(H,20,21);1H
InChIKeyIWVLFELWXYXMPW-UHFFFAOYSA-N
MW356.89 g/mol
LogP3.07
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride (PubChem CID 119592013) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
PubChem CID119592013
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
SMILESCOc1cc(C(=O)NC(CN)C2CCCCC2)cc(OC)c1C.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-12-16(22-2)9-14(10-17(12)23-3)18(21)20-15(11-19)13-7-5-4-6-8-13;/h9-10,13,15H,4-8,11,19H2,1-3H3,(H,20,21);1H
InChIKeyIWVLFELWXYXMPW-UHFFFAOYSA-N
XLogP3.07
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide
CID 81485984
3-acetamido-N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxybenzamide
CID 119589329
3-cyclopropyl-3-[(3,5-dimethoxy-4-methylbenzoyl)amino]propanoic acid
CID 71915558
3-acetamido-N-(2-amino-1-cyclopropylethyl)-4,5-dimethoxybenzamide;hydrochloride
CID 119613286
N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride
CID 119591989
N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide
CID 106737408
N-(2-amino-1-cyclohexylethyl)-4-methoxy-3-nitrobenzamide;hydrochloride
CID 119591436
N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
N-(2-amino-1-cyclohexylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride
CID 119590589
N-(2-amino-1-cyclohexylethyl)-2,3-dimethoxybenzamide;hydrochloride
CID 119591832
N-(2-amino-1-cyclopropylethyl)-3,4,5-triethoxybenzamide;hydrochloride
CID 119614010
N-(2-amino-1-cyclohexylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119591423

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride (CID 119592013) is N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride is COc1cc(C(=O)NC(CN)C2CCCCC2)cc(OC)c1C.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride?
The InChIKey is IWVLFELWXYXMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-12-16(22-2)9-14(10-17(12)23-3)18(21)20-15(11-19)13-7-5-4-6-8-13;/h9-10,13,15H,4-8,11,19H2,1-3H3,(H,20,21);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 3.07, 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)-3,5-dimethoxy-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 119592013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).