2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide

C15H21ClN2O3 — CID 63099859

IUPAC2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide
SMILESCNCc1cc(Cl)ccc1OCC(=O)NC1CCOCC1
InChIInChI=1S/C15H21ClN2O3/c1-17-9-11-8-12(16)2-3-14(11)21-10-15(19)18-13-4-6-20-7-5-13/h2-3,8,13,17H,4-7,9-10H2,1H3,(H,18,19)
InChIKeyGBZISGXIQYTDGL-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.73
Rot. Bonds6

About 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide

2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide (PubChem CID 63099859) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide
PubChem CID63099859
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide
SMILESCNCc1cc(Cl)ccc1OCC(=O)NC1CCOCC1
InChIInChI=1S/C15H21ClN2O3/c1-17-9-11-8-12(16)2-3-14(11)21-10-15(19)18-13-4-6-20-7-5-13/h2-3,8,13,17H,4-7,9-10H2,1H3,(H,18,19)
InChIKeyGBZISGXIQYTDGL-UHFFFAOYSA-N
XLogP1.73
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-bromo-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide
CID 63098991
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-cyclopropylacetamide
CID 54929439
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(oxan-4-yl)acetamide
CID 63325624
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61487978
N-cyclopropyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277196
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 43277899
N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 62548783
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 60881072
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492473
2-[2-(methylaminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
CID 106484672
3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide
CID 62626106
N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide (CID 63099859) is 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide is CNCc1cc(Cl)ccc1OCC(=O)NC1CCOCC1.
What is the InChIKey of 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide?
The InChIKey is GBZISGXIQYTDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-17-9-11-8-12(16)2-3-14(11)21-10-15(19)18-13-4-6-20-7-5-13/h2-3,8,13,17H,4-7,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide?
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide has a molecular weight of 312.80 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63099859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).