1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone

C17H28N2O2 — CID 61432206

IUPAC1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
SMILESCCn1c(C)cc(C(=O)CN(C)CC2CCCCO2)c1C
InChIInChI=1S/C17H28N2O2/c1-5-19-13(2)10-16(14(19)3)17(20)12-18(4)11-15-8-6-7-9-21-15/h10,15H,5-9,11-12H2,1-4H3
InChIKeyZZVUBYYDYLDKSK-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.81
Rot. Bonds6

About 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone

1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone (PubChem CID 61432206) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
PubChem CID61432206
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
SMILESCCn1c(C)cc(C(=O)CN(C)CC2CCCCO2)c1C
InChIInChI=1S/C17H28N2O2/c1-5-19-13(2)10-16(14(19)3)17(20)12-18(4)11-15-8-6-7-9-21-15/h10,15H,5-9,11-12H2,1-4H3
InChIKeyZZVUBYYDYLDKSK-UHFFFAOYSA-N
XLogP2.81
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(oxolan-2-ylmethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 61432107
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63712606
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(oxolan-2-ylmethylsulfanyl)ethanone
CID 113221523
N,1,2,5-tetramethyl-N-(oxan-2-ylmethyl)pyrrole-3-carboxamide
CID 135113148
1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61431968
2-(diethylamino)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 43226614
1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432503
1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone
CID 61432500
2,5-dimethyl-1-[2-(oxan-2-yl)ethyl]pyrrole-3-carboxylic acid
CID 114135752
1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone
CID 61431815
2-cyclopentyloxy-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 43799424
2-[butyl(cyclopropyl)amino]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 61445247

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone?
The IUPAC name of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone (CID 61432206) is 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone is CCn1c(C)cc(C(=O)CN(C)CC2CCCCO2)c1C.
What is the InChIKey of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone?
The InChIKey is ZZVUBYYDYLDKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-19-13(2)10-16(14(19)3)17(20)12-18(4)11-15-8-6-7-9-21-15/h10,15H,5-9,11-12H2,1-4H3.
What are the key properties of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone?
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone has a molecular weight of 292.42 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone is sourced from PubChem (CID 61432206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).