2-(N-ethyl-2-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone

C16H20N2O — CID 43228316

IUPAC2-(N-ethyl-2-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCCN(CC(=O)c1cccn1C)c1ccccc1C
InChIInChI=1S/C16H20N2O/c1-4-18(14-9-6-5-8-13(14)2)12-16(19)15-10-7-11-17(15)3/h5-11H,4,12H2,1-3H3
InChIKeyNBAZSQCVBYXBSZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.04
Rot. Bonds5

About 2-(N-ethyl-2-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone

2-(N-ethyl-2-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone (PubChem CID 43228316) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(N-ethyl-2-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(N-ethyl-2-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone
PubChem CID43228316
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(N-ethyl-2-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCCN(CC(=O)c1cccn1C)c1ccccc1C
InChIInChI=1S/C16H20N2O/c1-4-18(14-9-6-5-8-13(14)2)12-16(19)15-10-7-11-17(15)3/h5-11H,4,12H2,1-3H3
InChIKeyNBAZSQCVBYXBSZ-UHFFFAOYSA-N
XLogP3.04
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-ethyl-2-methylanilino)-1-(4-iodophenyl)ethanone
CID 43228314
1-(2,5-dimethylthiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228322
4-[2-(N-ethyl-2-methylanilino)acetyl]benzonitrile
CID 43228325
1-(3-bromothiophen-2-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43794167
1-(2,4-difluorophenyl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228309
2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 43226618
1-(1-methylpyrrol-2-yl)-2-(N,3,5-trimethylanilino)ethanone
CID 61036154
1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228317
2-(N-ethyl-2-methylanilino)-N-(propan-2-ylcarbamoyl)acetamide
CID 47121669
N-ethyl-2-(N-ethyl-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide
CID 78820883
2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 112692203
2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 62115833

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-2-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-(N-ethyl-2-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone (CID 43228316) is 2-(N-ethyl-2-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(N-ethyl-2-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-(N-ethyl-2-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone is CCN(CC(=O)c1cccn1C)c1ccccc1C.
What is the InChIKey of 2-(N-ethyl-2-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone?
The InChIKey is NBAZSQCVBYXBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-18(14-9-6-5-8-13(14)2)12-16(19)15-10-7-11-17(15)3/h5-11H,4,12H2,1-3H3.
What are the key properties of 2-(N-ethyl-2-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone?
2-(N-ethyl-2-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone has a molecular weight of 256.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-2-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 43228316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).