N-methyl-2-[3-[(1-methylpyrrol-2-yl)methylamino]phenoxy]acetamide

C15H19N3O2 — CID 62129281

IUPACN-methyl-2-[3-[(1-methylpyrrol-2-yl)methylamino]phenoxy]acetamide
SMILESCNC(=O)COc1cccc(NCc2cccn2C)c1
InChIInChI=1S/C15H19N3O2/c1-16-15(19)11-20-14-7-3-5-12(9-14)17-10-13-6-4-8-18(13)2/h3-9,17H,10-11H2,1-2H3,(H,16,19)
InChIKeyMQXPTPXPPRRSPB-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.76
Rot. Bonds6

About N-methyl-2-[3-[(1-methylpyrrol-2-yl)methylamino]phenoxy]acetamide

N-methyl-2-[3-[(1-methylpyrrol-2-yl)methylamino]phenoxy]acetamide (PubChem CID 62129281) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-methyl-2-[3-[(1-methylpyrrol-2-yl)methylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-[(1-methylpyrrol-2-yl)methylamino]phenoxy]acetamide
PubChem CID62129281
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-methyl-2-[3-[(1-methylpyrrol-2-yl)methylamino]phenoxy]acetamide
SMILESCNC(=O)COc1cccc(NCc2cccn2C)c1
InChIInChI=1S/C15H19N3O2/c1-16-15(19)11-20-14-7-3-5-12(9-14)17-10-13-6-4-8-18(13)2/h3-9,17H,10-11H2,1-2H3,(H,16,19)
InChIKeyMQXPTPXPPRRSPB-UHFFFAOYSA-N
XLogP1.76
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-bromophenyl)methylamino]phenoxy]-N-methylacetamide
CID 43693359
2-[3-[(5-ethylfuran-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 62346867
2-[3-[(5-ethylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 62345183
methyl N-[3-[(1-methylpyrrol-2-yl)methylamino]phenyl]carbamate
CID 55039229
2-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 43705402
N-methyl-2-[3-(octylamino)phenoxy]acetamide
CID 43693355
N-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide
CID 43693352
2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 102832530
N-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide
CID 62655273
2-[3-[(5-cyanofuran-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 115652577
N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide
CID 55039467
N-methyl-2-[3-(4-methylsulfanylbutylamino)phenoxy]acetamide
CID 103087507

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[(1-methylpyrrol-2-yl)methylamino]phenoxy]acetamide?
The IUPAC name of N-methyl-2-[3-[(1-methylpyrrol-2-yl)methylamino]phenoxy]acetamide (CID 62129281) is N-methyl-2-[3-[(1-methylpyrrol-2-yl)methylamino]phenoxy]acetamide.
What is the SMILES notation for N-methyl-2-[3-[(1-methylpyrrol-2-yl)methylamino]phenoxy]acetamide?
The canonical SMILES for N-methyl-2-[3-[(1-methylpyrrol-2-yl)methylamino]phenoxy]acetamide is CNC(=O)COc1cccc(NCc2cccn2C)c1.
What is the InChIKey of N-methyl-2-[3-[(1-methylpyrrol-2-yl)methylamino]phenoxy]acetamide?
The InChIKey is MQXPTPXPPRRSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-16-15(19)11-20-14-7-3-5-12(9-14)17-10-13-6-4-8-18(13)2/h3-9,17H,10-11H2,1-2H3,(H,16,19).
What are the key properties of N-methyl-2-[3-[(1-methylpyrrol-2-yl)methylamino]phenoxy]acetamide?
N-methyl-2-[3-[(1-methylpyrrol-2-yl)methylamino]phenoxy]acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[(1-methylpyrrol-2-yl)methylamino]phenoxy]acetamide is sourced from PubChem (CID 62129281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).