2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide

C13H21N3O2 — CID 60713368

IUPAC2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
SMILESCc1cc(C(=O)CN(C)CC(=O)N(C)C)c(C)[nH]1
InChIInChI=1S/C13H21N3O2/c1-9-6-11(10(2)14-9)12(17)7-16(5)8-13(18)15(3)4/h6,14H,7-8H2,1-5H3
InChIKeyYFOLRUJLPVQRRK-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.83
Rot. Bonds5

About 2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide

2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide (PubChem CID 60713368) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
PubChem CID60713368
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
SMILESCc1cc(C(=O)CN(C)CC(=O)N(C)C)c(C)[nH]1
InChIInChI=1S/C13H21N3O2/c1-9-6-11(10(2)14-9)12(17)7-16(5)8-13(18)15(3)4/h6,14H,7-8H2,1-5H3
InChIKeyYFOLRUJLPVQRRK-UHFFFAOYSA-N
XLogP0.83
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-
CID 211019
4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide
CID 1489239
N-(2-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)ethyl)acetamide
CID 178134
2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CID 227177
N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide
CID 1481809
4-acetyl-N-cyclohexyl-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3241255
N,N-dimethyl-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide
CID 1473194
1-[5-(3,5-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 3570670
3-[2-Oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4875718
4-Acetyl-3-Ethyl-N,5-Dimethyl-1h-Pyrrole-2-Carboxamide
CID 47265390
4-acetyl-3,5-dimethyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide
CID 867003
Sdccgsbi-0661720.P001
CID 2430108

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide (CID 60713368) is 2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide is Cc1cc(C(=O)CN(C)CC(=O)N(C)C)c(C)[nH]1.
What is the InChIKey of 2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide?
The InChIKey is YFOLRUJLPVQRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-6-11(10(2)14-9)12(17)7-16(5)8-13(18)15(3)4/h6,14H,7-8H2,1-5H3.
What are the key properties of 2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide?
2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide has a molecular weight of 251.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 60713368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).