2-[butyl-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide

C16H27N3O2 — CID 62053083

IUPAC2-[butyl-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide
SMILESCCCCN(CC(N)=O)CC(=O)c1cc(C)n(CC)c1C
InChIInChI=1S/C16H27N3O2/c1-5-7-8-18(11-16(17)21)10-15(20)14-9-12(3)19(6-2)13(14)4/h9H,5-8,10-11H2,1-4H3,(H2,17,21)
InChIKeyPERIOQJXQROGKV-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.89
Rot. Bonds9

About 2-[butyl-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide

2-[butyl-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide (PubChem CID 62053083) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[butyl-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide
PubChem CID62053083
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[butyl-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide
SMILESCCCCN(CC(N)=O)CC(=O)c1cc(C)n(CC)c1C
InChIInChI=1S/C16H27N3O2/c1-5-7-8-18(11-16(17)21)10-15(20)14-9-12(3)19(6-2)13(14)4/h9H,5-8,10-11H2,1-4H3,(H2,17,21)
InChIKeyPERIOQJXQROGKV-UHFFFAOYSA-N
XLogP1.89
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-oxoethyl)-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide
CID 62921896
2-[[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 62036243
2-(diethylamino)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 43226614
2-[butyl(cyclopropyl)amino]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 61445247
2-[butyl-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]amino]acetamide
CID 62051917
2-[butyl-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]amino]acetamide
CID 62053081
2-[butyl(methyl)amino]-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone
CID 78793784
3-[[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile
CID 62051069
3-[ethyl-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]-2-methylpropanenitrile
CID 62036399
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(N-methylanilino)ethanone
CID 43226577
2-[butyl-[2-(4-ethylphenyl)-2-oxoethyl]amino]acetamide
CID 62052887
2-[butyl-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]amino]acetamide
CID 62051723

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide?
The IUPAC name of 2-[butyl-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide (CID 62053083) is 2-[butyl-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide?
The canonical SMILES for 2-[butyl-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide is CCCCN(CC(N)=O)CC(=O)c1cc(C)n(CC)c1C.
What is the InChIKey of 2-[butyl-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide?
The InChIKey is PERIOQJXQROGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-7-8-18(11-16(17)21)10-15(20)14-9-12(3)19(6-2)13(14)4/h9H,5-8,10-11H2,1-4H3,(H2,17,21).
What are the key properties of 2-[butyl-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide?
2-[butyl-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide has a molecular weight of 293.41 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 62053083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).