2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(oxan-4-yl)acetamide

C15H22N2O4 — CID 103566005

IUPAC2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(oxan-4-yl)acetamide
SMILESCOc1cc(CN)cc(OCC(=O)NC2CCOCC2)c1
InChIInChI=1S/C15H22N2O4/c1-19-13-6-11(9-16)7-14(8-13)21-10-15(18)17-12-2-4-20-5-3-12/h6-8,12H,2-5,9-10,16H2,1H3,(H,17,18)
InChIKeyUAKVJEFSNNYLKF-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.83
Rot. Bonds6

About 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(oxan-4-yl)acetamide

2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(oxan-4-yl)acetamide (PubChem CID 103566005) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(oxan-4-yl)acetamide
PubChem CID103566005
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(oxan-4-yl)acetamide
SMILESCOc1cc(CN)cc(OCC(=O)NC2CCOCC2)c1
InChIInChI=1S/C15H22N2O4/c1-19-13-6-11(9-16)7-14(8-13)21-10-15(18)17-12-2-4-20-5-3-12/h6-8,12H,2-5,9-10,16H2,1H3,(H,17,18)
InChIKeyUAKVJEFSNNYLKF-UHFFFAOYSA-N
XLogP0.83
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylacetamide
CID 103565946
N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946
2-[3-(ethylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide
CID 63098119
N-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 115495370
2-(4-hydroxyphenoxy)-N-(oxan-4-yl)acetamide
CID 55182267
2-(3-bromo-5-iodophenoxy)-N-(oxan-4-yl)acetamide
CID 175686810
2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide
CID 62548613
2-(4-bromo-3-methylphenoxy)-N-(oxan-4-yl)acetamide
CID 81301243
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 103566043
2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
CID 16796047
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(oxan-4-yl)acetamide
CID 43610524
2-(2-bromo-5-methoxyphenoxy)-N-(oxolan-3-yl)acetamide
CID 172906977

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(oxan-4-yl)acetamide (CID 103566005) is 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(oxan-4-yl)acetamide is COc1cc(CN)cc(OCC(=O)NC2CCOCC2)c1.
What is the InChIKey of 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(oxan-4-yl)acetamide?
The InChIKey is UAKVJEFSNNYLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-19-13-6-11(9-16)7-14(8-13)21-10-15(18)17-12-2-4-20-5-3-12/h6-8,12H,2-5,9-10,16H2,1H3,(H,17,18).
What are the key properties of 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(oxan-4-yl)acetamide?
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(oxan-4-yl)acetamide has a molecular weight of 294.35 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 103566005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).