2-[butyl(cyclopropyl)amino]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone

C17H28N2O — CID 61445247

IUPAC2-[butyl(cyclopropyl)amino]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
SMILESCCCCN(CC(=O)c1cc(C)n(CC)c1C)C1CC1
InChIInChI=1S/C17H28N2O/c1-5-7-10-18(15-8-9-15)12-17(20)16-11-13(3)19(6-2)14(16)4/h11,15H,5-10,12H2,1-4H3
InChIKeyCCVQUTARQJALAN-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.57
Rot. Bonds8

About 2-[butyl(cyclopropyl)amino]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone

2-[butyl(cyclopropyl)amino]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone (PubChem CID 61445247) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[butyl(cyclopropyl)amino]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[butyl(cyclopropyl)amino]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
PubChem CID61445247
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[butyl(cyclopropyl)amino]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
SMILESCCCCN(CC(=O)c1cc(C)n(CC)c1C)C1CC1
InChIInChI=1S/C17H28N2O/c1-5-7-10-18(15-8-9-15)12-17(20)16-11-13(3)19(6-2)14(16)4/h11,15H,5-10,12H2,1-4H3
InChIKeyCCVQUTARQJALAN-UHFFFAOYSA-N
XLogP3.57
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide
CID 62053083
2-(diethylamino)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 43226614
2-[butyl(cyclopropyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 61445644
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 62037838
2-[(2-amino-2-oxoethyl)-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide
CID 62921896
2-[cyclopropyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43795545
2-chloro-1-[1-[2-[cyclopropyl(methyl)amino]ethyl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 62979236
2-[butyl(methyl)amino]-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone
CID 78793784
2-[cyclopropyl(propyl)amino]-1-(2,5-dimethylphenyl)ethanone
CID 43795464
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432206
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(N-methylanilino)ethanone
CID 43226577
2-cyclopentyloxy-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 43799424

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(cyclopropyl)amino]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-[butyl(cyclopropyl)amino]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone (CID 61445247) is 2-[butyl(cyclopropyl)amino]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[butyl(cyclopropyl)amino]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-[butyl(cyclopropyl)amino]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone is CCCCN(CC(=O)c1cc(C)n(CC)c1C)C1CC1.
What is the InChIKey of 2-[butyl(cyclopropyl)amino]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone?
The InChIKey is CCVQUTARQJALAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-7-10-18(15-8-9-15)12-17(20)16-11-13(3)19(6-2)14(16)4/h11,15H,5-10,12H2,1-4H3.
What are the key properties of 2-[butyl(cyclopropyl)amino]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone?
2-[butyl(cyclopropyl)amino]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone has a molecular weight of 276.42 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(cyclopropyl)amino]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 61445247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).