2-[4-[(1-methylpyrrol-3-yl)methylamino]phenoxy]acetamide

C14H17N3O2 — CID 66398106

IUPAC2-[4-[(1-methylpyrrol-3-yl)methylamino]phenoxy]acetamide
SMILESCn1ccc(CNc2ccc(OCC(N)=O)cc2)c1
InChIInChI=1S/C14H17N3O2/c1-17-7-6-11(9-17)8-16-12-2-4-13(5-3-12)19-10-14(15)18/h2-7,9,16H,8,10H2,1H3,(H2,15,18)
InChIKeyXOOMPDBWFYLVIY-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.50
Rot. Bonds6

About 2-[4-[(1-methylpyrrol-3-yl)methylamino]phenoxy]acetamide

2-[4-[(1-methylpyrrol-3-yl)methylamino]phenoxy]acetamide (PubChem CID 66398106) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[4-[(1-methylpyrrol-3-yl)methylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(1-methylpyrrol-3-yl)methylamino]phenoxy]acetamide
PubChem CID66398106
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[4-[(1-methylpyrrol-3-yl)methylamino]phenoxy]acetamide
SMILESCn1ccc(CNc2ccc(OCC(N)=O)cc2)c1
InChIInChI=1S/C14H17N3O2/c1-17-7-6-11(9-17)8-16-12-2-4-13(5-3-12)19-10-14(15)18/h2-7,9,16H,8,10H2,1H3,(H2,15,18)
InChIKeyXOOMPDBWFYLVIY-UHFFFAOYSA-N
XLogP1.50
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66397859
ethyl 4-[(1-methylpyrrol-3-yl)methylamino]benzoate
CID 66397874
2-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide
CID 103851337
2-[3-[[[N'-methyl-N-[(1-methylpyrrol-3-yl)methyl]carbamimidoyl]amino]methyl]phenoxy]acetamide
CID 111991155
2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide
CID 115743088
2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide
CID 43711101
2-[3-[[[N'-methyl-N-[(1-methylpyrrol-3-yl)methyl]carbamimidoyl]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111991154
2-[3-[(1-propylpyrrol-3-yl)methylamino]phenoxy]acetamide
CID 66414941
2-[4-[(2,6-difluorophenyl)methylamino]phenoxy]acetamide
CID 43711028
2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43711048
2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide
CID 63333006
2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide
CID 43711069

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylpyrrol-3-yl)methylamino]phenoxy]acetamide?
The IUPAC name of 2-[4-[(1-methylpyrrol-3-yl)methylamino]phenoxy]acetamide (CID 66398106) is 2-[4-[(1-methylpyrrol-3-yl)methylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(1-methylpyrrol-3-yl)methylamino]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(1-methylpyrrol-3-yl)methylamino]phenoxy]acetamide is Cn1ccc(CNc2ccc(OCC(N)=O)cc2)c1.
What is the InChIKey of 2-[4-[(1-methylpyrrol-3-yl)methylamino]phenoxy]acetamide?
The InChIKey is XOOMPDBWFYLVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17-7-6-11(9-17)8-16-12-2-4-13(5-3-12)19-10-14(15)18/h2-7,9,16H,8,10H2,1H3,(H2,15,18).
What are the key properties of 2-[4-[(1-methylpyrrol-3-yl)methylamino]phenoxy]acetamide?
2-[4-[(1-methylpyrrol-3-yl)methylamino]phenoxy]acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylpyrrol-3-yl)methylamino]phenoxy]acetamide is sourced from PubChem (CID 66398106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).