N-methyl-2-[2-[1-[(2-methylphenyl)methylamino]propyl]phenoxy]acetamide

C20H26N2O2 — CID 51086170

IUPACN-methyl-2-[2-[1-[(2-methylphenyl)methylamino]propyl]phenoxy]acetamide
SMILESCCC(NCc1ccccc1C)c1ccccc1OCC(=O)NC
InChIInChI=1S/C20H26N2O2/c1-4-18(22-13-16-10-6-5-9-15(16)2)17-11-7-8-12-19(17)24-14-20(23)21-3/h5-12,18,22H,4,13-14H2,1-3H3,(H,21,23)
InChIKeyMGERRPURIDIYDZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.36
Rot. Bonds8

About N-methyl-2-[2-[1-[(2-methylphenyl)methylamino]propyl]phenoxy]acetamide

N-methyl-2-[2-[1-[(2-methylphenyl)methylamino]propyl]phenoxy]acetamide (PubChem CID 51086170) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-methyl-2-[2-[1-[(2-methylphenyl)methylamino]propyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-[1-[(2-methylphenyl)methylamino]propyl]phenoxy]acetamide
PubChem CID51086170
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-methyl-2-[2-[1-[(2-methylphenyl)methylamino]propyl]phenoxy]acetamide
SMILESCCC(NCc1ccccc1C)c1ccccc1OCC(=O)NC
InChIInChI=1S/C20H26N2O2/c1-4-18(22-13-16-10-6-5-9-15(16)2)17-11-7-8-12-19(17)24-14-20(23)21-3/h5-12,18,22H,4,13-14H2,1-3H3,(H,21,23)
InChIKeyMGERRPURIDIYDZ-UHFFFAOYSA-N
XLogP3.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[1-[(2-methylphenyl)methylamino]propyl]phenoxy]acetamide?
The IUPAC name of N-methyl-2-[2-[1-[(2-methylphenyl)methylamino]propyl]phenoxy]acetamide (CID 51086170) is N-methyl-2-[2-[1-[(2-methylphenyl)methylamino]propyl]phenoxy]acetamide.
What is the SMILES notation for N-methyl-2-[2-[1-[(2-methylphenyl)methylamino]propyl]phenoxy]acetamide?
The canonical SMILES for N-methyl-2-[2-[1-[(2-methylphenyl)methylamino]propyl]phenoxy]acetamide is CCC(NCc1ccccc1C)c1ccccc1OCC(=O)NC.
What is the InChIKey of N-methyl-2-[2-[1-[(2-methylphenyl)methylamino]propyl]phenoxy]acetamide?
The InChIKey is MGERRPURIDIYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-18(22-13-16-10-6-5-9-15(16)2)17-11-7-8-12-19(17)24-14-20(23)21-3/h5-12,18,22H,4,13-14H2,1-3H3,(H,21,23).
What are the key properties of N-methyl-2-[2-[1-[(2-methylphenyl)methylamino]propyl]phenoxy]acetamide?
N-methyl-2-[2-[1-[(2-methylphenyl)methylamino]propyl]phenoxy]acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[1-[(2-methylphenyl)methylamino]propyl]phenoxy]acetamide is sourced from PubChem (CID 51086170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).