2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide

C16H24N2O2 — CID 16796047

IUPAC2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)COc2ccc(CN)cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-12-2-6-14(7-3-12)18-16(19)11-20-15-8-4-13(10-17)5-9-15/h4-5,8-9,12,14H,2-3,6-7,10-11,17H2,1H3,(H,18,19)
InChIKeyGWIJFHZMQLSZFC-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.22
Rot. Bonds5

About 2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide

2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide (PubChem CID 16796047) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
PubChem CID16796047
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)COc2ccc(CN)cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-12-2-6-14(7-3-12)18-16(19)11-20-15-8-4-13(10-17)5-9-15/h4-5,8-9,12,14H,2-3,6-7,10-11,17H2,1H3,(H,18,19)
InChIKeyGWIJFHZMQLSZFC-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)-N-(4-methylcyclohexyl)acetamide
CID 78785999
2-(3-aminophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 54916003
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791504
2-(4-chlorophenoxy)-N-(3-methylcyclopentyl)acetamide
CID 90888344
N-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561633
2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide
CID 62548613
N-(4-aminocyclohexyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride
CID 119474575
N-(4-aminocyclohexyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119474987
N-(4-hydroxycyclohexyl)-2-(4-propoxyphenoxy)acetamide
CID 78767377
2-[4-(aminomethyl)phenoxy]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 106249589
(2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide
CID 119299388
2-(4-aminophenoxy)-N-(4-ethylcyclohexyl)acetamide
CID 61466103

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide (CID 16796047) is 2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)COc2ccc(CN)cc2)CC1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is GWIJFHZMQLSZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-2-6-14(7-3-12)18-16(19)11-20-15-8-4-13(10-17)5-9-15/h4-5,8-9,12,14H,2-3,6-7,10-11,17H2,1H3,(H,18,19).
What are the key properties of 2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide?
2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 16796047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).