N-[2-(aminomethyl)cyclopentyl]-2-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride

C18H28BrClN2O3 — CID 119601169

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride
SMILESCCOc1cc(Br)c(CC(=O)NC2CCCC2CN)cc1OCC.Cl
InChIInChI=1S/C18H27BrN2O3.ClH/c1-3-23-16-8-13(14(19)10-17(16)24-4-2)9-18(22)21-15-7-5-6-12(15)11-20;/h8,10,12,15H,3-7,9,11,20H2,1-2H3,(H,21,22);1H
InChIKeyAVHIYYYLQKCQOA-UHFFFAOYSA-N
MW435.79 g/mol
LogP3.45
Rot. Bonds8

About N-[2-(aminomethyl)cyclopentyl]-2-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride (PubChem CID 119601169) has the molecular formula C18H28BrClN2O3 and a molecular weight of 435.79 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride
PubChem CID119601169
Molecular FormulaC18H28BrClN2O3
Molecular Weight435.79 g/mol
Exact Mass434.10
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride
SMILESCCOc1cc(Br)c(CC(=O)NC2CCCC2CN)cc1OCC.Cl
InChIInChI=1S/C18H27BrN2O3.ClH/c1-3-23-16-8-13(14(19)10-17(16)24-4-2)9-18(22)21-15-7-5-6-12(15)11-20;/h8,10,12,15H,3-7,9,11,20H2,1-2H3,(H,21,22);1H
InChIKeyAVHIYYYLQKCQOA-UHFFFAOYSA-N
XLogP3.45
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.79
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)acetamide;hydrochloride
CID 119600531
N-[2-(aminomethyl)cyclopentyl]-2-(2-bromophenyl)acetamide;hydrochloride
CID 119603681
N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119600537
N-[2-(aminomethyl)cyclohexyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride
CID 119610949
N-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide
CID 119610034
N-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide
CID 119603710
N-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 119602529
2-(2-bromo-4,5-diethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510428
N-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 119626386
N-[2-(aminomethyl)cyclopentyl]-2-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119604312
N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119610659
N-[2-(aminomethyl)cyclopentyl]-4-(2-bromophenoxy)butanamide;hydrochloride
CID 119603805

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride (CID 119601169) is N-[2-(aminomethyl)cyclopentyl]-2-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride is CCOc1cc(Br)c(CC(=O)NC2CCCC2CN)cc1OCC.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride?
The InChIKey is AVHIYYYLQKCQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O3.ClH/c1-3-23-16-8-13(14(19)10-17(16)24-4-2)9-18(22)21-15-7-5-6-12(15)11-20;/h8,10,12,15H,3-7,9,11,20H2,1-2H3,(H,21,22);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride has a molecular weight of 435.79 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119601169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).