1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone

C15H26N2O3 — CID 62029188

IUPAC1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone
SMILESCCn1c(C)cc(C(=O)CN(C)CC(O)COC)c1C
InChIInChI=1S/C15H26N2O3/c1-6-17-11(2)7-14(12(17)3)15(19)9-16(4)8-13(18)10-20-5/h7,13,18H,6,8-10H2,1-5H3
InChIKeyIBJOMPGYCDVXSD-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.25
Rot. Bonds8

About 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone

1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone (PubChem CID 62029188) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone.

Molecular Properties

Compound Name1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone
PubChem CID62029188
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone
SMILESCCn1c(C)cc(C(=O)CN(C)CC(O)COC)c1C
InChIInChI=1S/C15H26N2O3/c1-6-17-11(2)7-14(12(17)3)15(19)9-16(4)8-13(18)10-20-5/h7,13,18H,6,8-10H2,1-5H3
InChIKeyIBJOMPGYCDVXSD-UHFFFAOYSA-N
XLogP1.25
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone?
The IUPAC name of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone (CID 62029188) is 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone.
What is the SMILES notation for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone?
The canonical SMILES for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone is CCn1c(C)cc(C(=O)CN(C)CC(O)COC)c1C.
What is the InChIKey of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone?
The InChIKey is IBJOMPGYCDVXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-6-17-11(2)7-14(12(17)3)15(19)9-16(4)8-13(18)10-20-5/h7,13,18H,6,8-10H2,1-5H3.
What are the key properties of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone?
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone has a molecular weight of 282.38 g/mol, XLogP of 1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone is sourced from PubChem (CID 62029188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).