2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide

C15H24N2O2 — CID 61486986

IUPAC2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1ccc(CNC)cc1
InChIInChI=1S/C15H24N2O2/c1-4-13(5-2)17-15(18)11-19-14-8-6-12(7-9-14)10-16-3/h6-9,13,16H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyHFTFRKPMDAMBKS-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.09
Rot. Bonds8

About 2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide

2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide (PubChem CID 61486986) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
PubChem CID61486986
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1ccc(CNC)cc1
InChIInChI=1S/C15H24N2O2/c1-4-13(5-2)17-15(18)11-19-14-8-6-12(7-9-14)10-16-3/h6-9,13,16H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyHFTFRKPMDAMBKS-UHFFFAOYSA-N
XLogP2.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-N-pentan-3-ylacetamide
CID 877838
2-[4-(methylaminomethyl)phenoxy]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 106486250
2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61489863
2-(4-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60625311
2-[4-(methylaminomethyl)phenoxy]-N-(propan-2-ylcarbamoyl)acetamide
CID 106486259
2-[4-(1-hydroxyethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61489740
2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486985
2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide
CID 170046008
2-[4-[1-(ethylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
CID 61486666
2-naphthalen-2-yloxy-N-pentan-3-ylacetamide
CID 24951700
3-[4-[2-oxo-2-(pentan-3-ylamino)ethoxy]phenyl]prop-2-enoic acid
CID 76905164
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methoxyphenoxy)acetate
CID 2590405

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide (CID 61486986) is 2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1ccc(CNC)cc1.
What is the InChIKey of 2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide?
The InChIKey is HFTFRKPMDAMBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-13(5-2)17-15(18)11-19-14-8-6-12(7-9-14)10-16-3/h6-9,13,16H,4-5,10-11H2,1-3H3,(H,17,18).
What are the key properties of 2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide?
2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide has a molecular weight of 264.37 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide is sourced from PubChem (CID 61486986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).