1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl-[2-(N-methylanilino)ethyl]amino]ethanone

C18H25N3O — CID 86899539

IUPAC1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl-[2-(N-methylanilino)ethyl]amino]ethanone
SMILESCc1cc(C(=O)CN(C)CCN(C)c2ccccc2)c(C)[nH]1
InChIInChI=1S/C18H25N3O/c1-14-12-17(15(2)19-14)18(22)13-20(3)10-11-21(4)16-8-6-5-7-9-16/h5-9,12,19H,10-11,13H2,1-4H3
InChIKeyFLBLIIVHDJYGHO-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.88
Rot. Bonds7

About 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl-[2-(N-methylanilino)ethyl]amino]ethanone

1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl-[2-(N-methylanilino)ethyl]amino]ethanone (PubChem CID 86899539) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl-[2-(N-methylanilino)ethyl]amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl-[2-(N-methylanilino)ethyl]amino]ethanone
PubChem CID86899539
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl-[2-(N-methylanilino)ethyl]amino]ethanone
SMILESCc1cc(C(=O)CN(C)CCN(C)c2ccccc2)c(C)[nH]1
InChIInChI=1S/C18H25N3O/c1-14-12-17(15(2)19-14)18(22)13-20(3)10-11-21(4)16-8-6-5-7-9-16/h5-9,12,19H,10-11,13H2,1-4H3
InChIKeyFLBLIIVHDJYGHO-UHFFFAOYSA-N
XLogP2.88
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl-[2-(N-methylanilino)ethyl]amino]ethanone?
The IUPAC name of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl-[2-(N-methylanilino)ethyl]amino]ethanone (CID 86899539) is 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl-[2-(N-methylanilino)ethyl]amino]ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl-[2-(N-methylanilino)ethyl]amino]ethanone?
The canonical SMILES for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl-[2-(N-methylanilino)ethyl]amino]ethanone is Cc1cc(C(=O)CN(C)CCN(C)c2ccccc2)c(C)[nH]1.
What is the InChIKey of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl-[2-(N-methylanilino)ethyl]amino]ethanone?
The InChIKey is FLBLIIVHDJYGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14-12-17(15(2)19-14)18(22)13-20(3)10-11-21(4)16-8-6-5-7-9-16/h5-9,12,19H,10-11,13H2,1-4H3.
What are the key properties of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl-[2-(N-methylanilino)ethyl]amino]ethanone?
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl-[2-(N-methylanilino)ethyl]amino]ethanone has a molecular weight of 299.42 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl-[2-(N-methylanilino)ethyl]amino]ethanone is sourced from PubChem (CID 86899539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).