3-amino-N-(2-bromo-4,5-diethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride

C17H26BrClN2O3 — CID 119745061

IUPAC3-amino-N-(2-bromo-4,5-diethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCCOc1cc(Br)c(NC(=O)C2CCCC(N)C2)cc1OCC.Cl
InChIInChI=1S/C17H25BrN2O3.ClH/c1-3-22-15-9-13(18)14(10-16(15)23-4-2)20-17(21)11-6-5-7-12(19)8-11;/h9-12H,3-8,19H2,1-2H3,(H,20,21);1H
InChIKeyCAXIIEGVIPFGOZ-UHFFFAOYSA-N
MW421.76 g/mol
LogP4.12
Rot. Bonds6

About 3-amino-N-(2-bromo-4,5-diethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(2-bromo-4,5-diethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119745061) has the molecular formula C17H26BrClN2O3 and a molecular weight of 421.76 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-4,5-diethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-bromo-4,5-diethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119745061
Molecular FormulaC17H26BrClN2O3
Molecular Weight421.76 g/mol
Exact Mass420.08
IUPAC Name3-amino-N-(2-bromo-4,5-diethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCCOc1cc(Br)c(NC(=O)C2CCCC(N)C2)cc1OCC.Cl
InChIInChI=1S/C17H25BrN2O3.ClH/c1-3-22-15-9-13(18)14(10-16(15)23-4-2)20-17(21)11-6-5-7-12(19)8-11;/h9-12H,3-8,19H2,1-2H3,(H,20,21);1H
InChIKeyCAXIIEGVIPFGOZ-UHFFFAOYSA-N
XLogP4.12
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.76
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119708471
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3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119725658
3-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
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3-amino-N-(4-methyl-2-propoxyphenyl)cyclohexane-1-carboxamide
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3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-4,5-diethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-bromo-4,5-diethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride (CID 119745061) is 3-amino-N-(2-bromo-4,5-diethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-bromo-4,5-diethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-bromo-4,5-diethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride is CCOc1cc(Br)c(NC(=O)C2CCCC(N)C2)cc1OCC.Cl.
What is the InChIKey of 3-amino-N-(2-bromo-4,5-diethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is CAXIIEGVIPFGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O3.ClH/c1-3-22-15-9-13(18)14(10-16(15)23-4-2)20-17(21)11-6-5-7-12(19)8-11;/h9-12H,3-8,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 3-amino-N-(2-bromo-4,5-diethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(2-bromo-4,5-diethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 421.76 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-4,5-diethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119745061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).