N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide

C16H24N2O2 — CID 119605033

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)NC1CCCC1CN
InChIInChI=1S/C16H24N2O2/c1-11-5-3-6-12(2)16(11)20-10-15(19)18-14-8-4-7-13(14)9-17/h3,5-6,13-14H,4,7-10,17H2,1-2H3,(H,18,19)
InChIKeyCTGQWPUMNHJMIL-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.93
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide

N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide (PubChem CID 119605033) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide
PubChem CID119605033
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)NC1CCCC1CN
InChIInChI=1S/C16H24N2O2/c1-11-5-3-6-12(2)16(11)20-10-15(19)18-14-8-4-7-13(14)9-17/h3,5-6,13-14H,4,7-10,17H2,1-2H3,(H,18,19)
InChIKeyCTGQWPUMNHJMIL-UHFFFAOYSA-N
XLogP1.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride
CID 119603633
N-[2-(aminomethyl)cyclopentyl]-2-(3-methylphenoxy)acetamide
CID 119603622
N-(2,3-dimethylcyclohexyl)-2-(2,6-dimethylphenoxy)acetamide
CID 42989465
N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylanilino)acetamide
CID 119605321
N-[2-(aminomethyl)cyclopentyl]-2-phenoxyacetamide;hydrochloride
CID 119601101
N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119601561
N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethylphenoxy)acetamide
CID 119611347
N-[2-(aminomethyl)cyclopentyl]-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride
CID 119600494
N-[2-(aminomethyl)cyclopentyl]-2-(4-ethylphenoxy)acetamide
CID 119601137
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8527913
N-[2-(aminomethyl)cyclopentyl]-2-(2-chlorophenoxy)acetamide;hydrochloride
CID 119603021
N-[2-(aminomethyl)cyclohexyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride
CID 119610949

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide (CID 119605033) is N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide is Cc1cccc(C)c1OCC(=O)NC1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide?
The InChIKey is CTGQWPUMNHJMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-5-3-6-12(2)16(11)20-10-15(19)18-14-8-4-7-13(14)9-17/h3,5-6,13-14H,4,7-10,17H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide?
N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.93, 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-(2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 119605033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).