N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride

C16H25ClN2O2 — CID 119591989

IUPACN-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride
SMILESCOc1cccc(C(=O)NC(CN)C2CCCCC2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-20-14-9-5-8-13(10-14)16(19)18-15(11-17)12-6-3-2-4-7-12;/h5,8-10,12,15H,2-4,6-7,11,17H2,1H3,(H,18,19);1H
InChIKeyDCMJAQQNZVLMFN-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.75
Rot. Bonds5

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

N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride (PubChem CID 119591989) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride
PubChem CID119591989
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride
SMILESCOc1cccc(C(=O)NC(CN)C2CCCCC2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-20-14-9-5-8-13(10-14)16(19)18-15(11-17)12-6-3-2-4-7-12;/h5,8-10,12,15H,2-4,6-7,11,17H2,1H3,(H,18,19);1H
InChIKeyDCMJAQQNZVLMFN-UHFFFAOYSA-N
XLogP2.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 106737605
3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
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N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide
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N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide
CID 115309240
N-(2-amino-1-cyclopropylethyl)-3-phenoxybenzamide
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CID 61123002
N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
CID 119592013
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N-(2-amino-1-cyclopropylethyl)-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 86813863
N-(2-amino-1-cyclohexylethyl)-3-(methylsulfinylmethyl)benzamide
CID 119589426
N-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
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CID 106737408

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride (CID 119591989) is N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride is COc1cccc(C(=O)NC(CN)C2CCCCC2)c1.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride?
The InChIKey is DCMJAQQNZVLMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-20-14-9-5-8-13(10-14)16(19)18-15(11-17)12-6-3-2-4-7-12;/h5,8-10,12,15H,2-4,6-7,11,17H2,1H3,(H,18,19);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119591989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).