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

C17H26N2O2 — CID 106484672

IUPAC2-[2-(methylaminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
SMILESCNCc1ccccc1OCC(=O)NC1CCC(C)CC1
InChIInChI=1S/C17H26N2O2/c1-13-7-9-15(10-8-13)19-17(20)12-21-16-6-4-3-5-14(16)11-18-2/h3-6,13,15,18H,7-12H2,1-2H3,(H,19,20)
InChIKeyJOAUOIMPVJHKDD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.48
Rot. Bonds6

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

2-[2-(methylaminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide (PubChem CID 106484672) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
PubChem CID106484672
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[2-(methylaminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
SMILESCNCc1ccccc1OCC(=O)NC1CCC(C)CC1
InChIInChI=1S/C17H26N2O2/c1-13-7-9-15(10-8-13)19-17(20)12-21-16-6-4-3-5-14(16)11-18-2/h3-6,13,15,18H,7-12H2,1-2H3,(H,19,20)
InChIKeyJOAUOIMPVJHKDD-UHFFFAOYSA-N
XLogP2.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277196
N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 62548783
N-cyclopropyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43277358
2-[2-(methylaminomethyl)phenoxy]-N-(2-methylcyclohexyl)acetamide
CID 106484685
N-methyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277188
N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
CID 2687934
2-[2-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43277187
2-[4-bromo-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide
CID 63098991
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide
CID 63099859
N-cyclohexyl-2-[2-[(prop-2-enylamino)methyl]phenoxy]acetamide;hydrochloride
CID 2986947
N-(2-acetamidoethyl)-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 106484641
N-cyclohexyl-2-(2-prop-2-enylphenoxy)acetamide
CID 1406994

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[2-(methylaminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide (CID 106484672) is 2-[2-(methylaminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[2-(methylaminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[2-(methylaminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide is CNCc1ccccc1OCC(=O)NC1CCC(C)CC1.
What is the InChIKey of 2-[2-(methylaminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is JOAUOIMPVJHKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-7-9-15(10-8-13)19-17(20)12-21-16-6-4-3-5-14(16)11-18-2/h3-6,13,15,18H,7-12H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(methylaminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide?
2-[2-(methylaminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 106484672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).