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

C16H21N3O2 — CID 66414941

IUPAC2-[3-[(1-propylpyrrol-3-yl)methylamino]phenoxy]acetamide
SMILESCCCn1ccc(CNc2cccc(OCC(N)=O)c2)c1
InChIInChI=1S/C16H21N3O2/c1-2-7-19-8-6-13(11-19)10-18-14-4-3-5-15(9-14)21-12-16(17)20/h3-6,8-9,11,18H,2,7,10,12H2,1H3,(H2,17,20)
InChIKeyDOSKKWDQOIYVPQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.37
Rot. Bonds8

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

2-[3-[(1-propylpyrrol-3-yl)methylamino]phenoxy]acetamide (PubChem CID 66414941) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[3-[(1-propylpyrrol-3-yl)methylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(1-propylpyrrol-3-yl)methylamino]phenoxy]acetamide
PubChem CID66414941
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[3-[(1-propylpyrrol-3-yl)methylamino]phenoxy]acetamide
SMILESCCCn1ccc(CNc2cccc(OCC(N)=O)c2)c1
InChIInChI=1S/C16H21N3O2/c1-2-7-19-8-6-13(11-19)10-18-14-4-3-5-15(9-14)21-12-16(17)20/h3-6,8-9,11,18H,2,7,10,12H2,1H3,(H2,17,20)
InChIKeyDOSKKWDQOIYVPQ-UHFFFAOYSA-N
XLogP2.37
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2-ethylphenyl)methylamino]phenoxy]acetamide
CID 62391235
2-[3-[(4-methoxyphenyl)methylamino]phenoxy]acetamide
CID 43720165
2-[4-[(1-propylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 66415335
2-[3-(octylamino)phenoxy]acetamide
CID 43720155
2-[3-[(3-bromo-4-methylphenyl)methylamino]phenoxy]acetamide
CID 115876092
2-[4-[(1-methylpyrrol-3-yl)methylamino]phenoxy]acetamide
CID 66398106
2-[3-[(3-aminothiophen-2-yl)methylamino]phenoxy]acetamide
CID 66386950
2-[3-(2-methylpropylamino)phenoxy]acetamide
CID 43720195
2-[3-[(2,3-dihydroxyphenyl)methylamino]phenoxy]acetamide
CID 61317866
3-ethoxy-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66416311
2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide
CID 64579004
2-[3-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43720191

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-propylpyrrol-3-yl)methylamino]phenoxy]acetamide?
The IUPAC name of 2-[3-[(1-propylpyrrol-3-yl)methylamino]phenoxy]acetamide (CID 66414941) is 2-[3-[(1-propylpyrrol-3-yl)methylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(1-propylpyrrol-3-yl)methylamino]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(1-propylpyrrol-3-yl)methylamino]phenoxy]acetamide is CCCn1ccc(CNc2cccc(OCC(N)=O)c2)c1.
What is the InChIKey of 2-[3-[(1-propylpyrrol-3-yl)methylamino]phenoxy]acetamide?
The InChIKey is DOSKKWDQOIYVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-7-19-8-6-13(11-19)10-18-14-4-3-5-15(9-14)21-12-16(17)20/h3-6,8-9,11,18H,2,7,10,12H2,1H3,(H2,17,20).
What are the key properties of 2-[3-[(1-propylpyrrol-3-yl)methylamino]phenoxy]acetamide?
2-[3-[(1-propylpyrrol-3-yl)methylamino]phenoxy]acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-propylpyrrol-3-yl)methylamino]phenoxy]acetamide is sourced from PubChem (CID 66414941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).