3-[2-(1H-pyrrol-3-ylmethylamino)phenoxy]propanamide

C14H17N3O2 — CID 66407426

IUPAC3-[2-(1H-pyrrol-3-ylmethylamino)phenoxy]propanamide
SMILESNC(=O)CCOc1ccccc1NCc1cc[nH]c1
InChIInChI=1S/C14H17N3O2/c15-14(18)6-8-19-13-4-2-1-3-12(13)17-10-11-5-7-16-9-11/h1-5,7,9,16-17H,6,8,10H2,(H2,15,18)
InChIKeyNJTDQGJFTSVGFX-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.88
Rot. Bonds7

About 3-[2-(1H-pyrrol-3-ylmethylamino)phenoxy]propanamide

3-[2-(1H-pyrrol-3-ylmethylamino)phenoxy]propanamide (PubChem CID 66407426) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[2-(1H-pyrrol-3-ylmethylamino)phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-(1H-pyrrol-3-ylmethylamino)phenoxy]propanamide
PubChem CID66407426
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[2-(1H-pyrrol-3-ylmethylamino)phenoxy]propanamide
SMILESNC(=O)CCOc1ccccc1NCc1cc[nH]c1
InChIInChI=1S/C14H17N3O2/c15-14(18)6-8-19-13-4-2-1-3-12(13)17-10-11-5-7-16-9-11/h1-5,7,9,16-17H,6,8,10H2,(H2,15,18)
InChIKeyNJTDQGJFTSVGFX-UHFFFAOYSA-N
XLogP1.88
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide
CID 43729736
3-[2-[(4-methylsulfinylphenyl)methylamino]phenoxy]propanamide
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3-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]propanamide
CID 62743092
3-[2-[(3-methyltriazol-4-yl)methylamino]phenoxy]propanamide
CID 115744008
3-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)phenoxy]propanamide
CID 119934663
3-[2-(bromomethylsulfonylamino)phenoxy]propanamide
CID 83084188
3-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenoxy]propanamide
CID 104879474
ethyl 2-(1H-pyrrol-3-ylmethylamino)benzoate
CID 66410244
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 103028884
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061
3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]phenoxy]propanamide
CID 119934680
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-pyrrol-3-ylmethylamino)phenoxy]propanamide?
The IUPAC name of 3-[2-(1H-pyrrol-3-ylmethylamino)phenoxy]propanamide (CID 66407426) is 3-[2-(1H-pyrrol-3-ylmethylamino)phenoxy]propanamide.
What is the SMILES notation for 3-[2-(1H-pyrrol-3-ylmethylamino)phenoxy]propanamide?
The canonical SMILES for 3-[2-(1H-pyrrol-3-ylmethylamino)phenoxy]propanamide is NC(=O)CCOc1ccccc1NCc1cc[nH]c1.
What is the InChIKey of 3-[2-(1H-pyrrol-3-ylmethylamino)phenoxy]propanamide?
The InChIKey is NJTDQGJFTSVGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-14(18)6-8-19-13-4-2-1-3-12(13)17-10-11-5-7-16-9-11/h1-5,7,9,16-17H,6,8,10H2,(H2,15,18).
What are the key properties of 3-[2-(1H-pyrrol-3-ylmethylamino)phenoxy]propanamide?
3-[2-(1H-pyrrol-3-ylmethylamino)phenoxy]propanamide has a molecular weight of 259.31 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-pyrrol-3-ylmethylamino)phenoxy]propanamide is sourced from PubChem (CID 66407426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).