2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-2-yl)ethanone

C16H20N2O2 — CID 62115833

IUPAC2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-2-yl)ethanone
SMILESCn1cccc1C(=O)CN(CCO)Cc1ccccc1
InChIInChI=1S/C16H20N2O2/c1-17-9-5-8-15(17)16(20)13-18(10-11-19)12-14-6-3-2-4-7-14/h2-9,19H,10-13H2,1H3
InChIKeyDFGJAQNWFXGVCP-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.70
Rot. Bonds7

About 2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-2-yl)ethanone

2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-2-yl)ethanone (PubChem CID 62115833) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-2-yl)ethanone
PubChem CID62115833
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-2-yl)ethanone
SMILESCn1cccc1C(=O)CN(CCO)Cc1ccccc1
InChIInChI=1S/C16H20N2O2/c1-17-9-5-8-15(17)16(20)13-18(10-11-19)12-14-6-3-2-4-7-14/h2-9,19H,10-13H2,1H3
InChIKeyDFGJAQNWFXGVCP-UHFFFAOYSA-N
XLogP1.70
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol
CID 110880251
1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857
2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrazol-4-yl)ethanone
CID 170711377
3-[benzyl(tert-butyl)amino]-1-(1-methylpyrrol-2-yl)propan-1-one
CID 70937906
2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 43226618
1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
CID 79395191
2-[benzyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)ethanone
CID 62114429
2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone
CID 62114939
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide
CID 60685209
2-[benzyl(2-hydroxyethyl)amino]-N-methyl-N-phenylacetamide
CID 110881016
2-[2-[benzyl(2-hydroxyethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one
CID 62116186

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-2-yl)ethanone (CID 62115833) is 2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-2-yl)ethanone is Cn1cccc1C(=O)CN(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-2-yl)ethanone?
The InChIKey is DFGJAQNWFXGVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-17-9-5-8-15(17)16(20)13-18(10-11-19)12-14-6-3-2-4-7-14/h2-9,19H,10-13H2,1H3.
What are the key properties of 2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-2-yl)ethanone?
2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-2-yl)ethanone has a molecular weight of 272.35 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 62115833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).