2-[3-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylacetamide

C15H22N2O3 — CID 103565946

IUPAC2-[3-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylacetamide
SMILESCOc1cc(CN)cc(OCC(=O)NC2CCCC2)c1
InChIInChI=1S/C15H22N2O3/c1-19-13-6-11(9-16)7-14(8-13)20-10-15(18)17-12-4-2-3-5-12/h6-8,12H,2-5,9-10,16H2,1H3,(H,17,18)
InChIKeyXNROCILKPOCYML-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.59
Rot. Bonds6

About 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylacetamide

2-[3-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylacetamide (PubChem CID 103565946) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylacetamide
PubChem CID103565946
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[3-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylacetamide
SMILESCOc1cc(CN)cc(OCC(=O)NC2CCCC2)c1
InChIInChI=1S/C15H22N2O3/c1-19-13-6-11(9-16)7-14(8-13)20-10-15(18)17-12-4-2-3-5-12/h6-8,12H,2-5,9-10,16H2,1H3,(H,17,18)
InChIKeyXNROCILKPOCYML-UHFFFAOYSA-N
XLogP1.59
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(oxan-4-yl)acetamide
CID 103566005
2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide
CID 62548613
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 103566043
2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
CID 16796047
[2-(cyclopentylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate
CID 81095131
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
N-cyclohexyl-2-(3-ethylphenoxy)acetamide
CID 731769
[2-(cyclooctylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 23884530
2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
CID 104704670
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2376879
N-cyclohexyl-2-[3-(hydroxymethyl)phenoxy]acetamide
CID 28562082

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylacetamide?
The IUPAC name of 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylacetamide (CID 103565946) is 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylacetamide is COc1cc(CN)cc(OCC(=O)NC2CCCC2)c1.
What is the InChIKey of 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylacetamide?
The InChIKey is XNROCILKPOCYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-13-6-11(9-16)7-14(8-13)20-10-15(18)17-12-4-2-3-5-12/h6-8,12H,2-5,9-10,16H2,1H3,(H,17,18).
What are the key properties of 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylacetamide?
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylacetamide has a molecular weight of 278.35 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylacetamide is sourced from PubChem (CID 103565946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).