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

C16H27N3O2 — CID 62036243

IUPAC2-[[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
SMILESCCn1c(C)cc(C(=O)CN(CC(N)=O)CC(C)C)c1C
InChIInChI=1S/C16H27N3O2/c1-6-19-12(4)7-14(13(19)5)15(20)9-18(8-11(2)3)10-16(17)21/h7,11H,6,8-10H2,1-5H3,(H2,17,21)
InChIKeyWWNVDMLWUZYCOC-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.75
Rot. Bonds8

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

2-[[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide (PubChem CID 62036243) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
PubChem CID62036243
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
SMILESCCn1c(C)cc(C(=O)CN(CC(N)=O)CC(C)C)c1C
InChIInChI=1S/C16H27N3O2/c1-6-19-12(4)7-14(13(19)5)15(20)9-18(8-11(2)3)10-16(17)21/h7,11H,6,8-10H2,1-5H3,(H2,17,21)
InChIKeyWWNVDMLWUZYCOC-UHFFFAOYSA-N
XLogP1.75
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.75
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-[butyl-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide
CID 62053083
3-[[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile
CID 62051069
2-(diethylamino)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 43226614
3-[ethyl-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]-2-methylpropanenitrile
CID 62036399
2-[[2-(2-methylphenyl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 62035855
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(3-methylbutylsulfanyl)ethanone
CID 113225827
2-[[2-(2-chlorophenyl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 62036439
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone
CID 62029188
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(N-methylanilino)ethanone
CID 43226577
2-[[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 78818763
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(4-hydroxybutan-2-ylsulfanyl)ethanone
CID 65417516

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide (CID 62036243) is 2-[[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide is CCn1c(C)cc(C(=O)CN(CC(N)=O)CC(C)C)c1C.
What is the InChIKey of 2-[[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide?
The InChIKey is WWNVDMLWUZYCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-6-19-12(4)7-14(13(19)5)15(20)9-18(8-11(2)3)10-16(17)21/h7,11H,6,8-10H2,1-5H3,(H2,17,21).
What are the key properties of 2-[[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide?
2-[[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide has a molecular weight of 293.41 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 62036243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).