N-[2-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride

C17H27ClN2O2 — CID 119603633

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride
SMILESCc1cc(C)c(OCC(=O)NC2CCCC2CN)c(C)c1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-11-7-12(2)17(13(3)8-11)21-10-16(20)19-15-6-4-5-14(15)9-18;/h7-8,14-15H,4-6,9-10,18H2,1-3H3,(H,19,20);1H
InChIKeyFVZZZADTZFQZTN-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.66
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride (PubChem CID 119603633) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride
PubChem CID119603633
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride
SMILESCc1cc(C)c(OCC(=O)NC2CCCC2CN)c(C)c1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-11-7-12(2)17(13(3)8-11)21-10-16(20)19-15-6-4-5-14(15)9-18;/h7-8,14-15H,4-6,9-10,18H2,1-3H3,(H,19,20);1H
InChIKeyFVZZZADTZFQZTN-UHFFFAOYSA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide
CID 119605033
N-[(1R,2R)-2-methylcyclohexyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 9404813
N-[2-(aminomethyl)cyclopentyl]-2-(3-methylphenoxy)acetamide
CID 119603622
N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethylphenoxy)acetamide
CID 119611347
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7860463
N-[2-(aminomethyl)cyclopentyl]-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride
CID 119600494
N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide
CID 9218083
N-[2-(aminomethyl)cyclopentyl]-2-phenoxyacetamide;hydrochloride
CID 119601101
N-[2-(aminomethyl)cyclopentyl]-3-(3,5-dimethylphenoxy)propanamide
CID 119603780
N-[2-(aminomethyl)cyclopentyl]-2-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119604312
N-[2-(aminomethyl)cyclohexyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride
CID 119610949
N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119601561

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride (CID 119603633) is N-[2-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride is Cc1cc(C)c(OCC(=O)NC2CCCC2CN)c(C)c1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride?
The InChIKey is FVZZZADTZFQZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-11-7-12(2)17(13(3)8-11)21-10-16(20)19-15-6-4-5-14(15)9-18;/h7-8,14-15H,4-6,9-10,18H2,1-3H3,(H,19,20);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119603633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).