N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide

C18H22N2O3 — CID 24630049

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCCn1c(C)cc(C(=O)NC(C)c2ccc3c(c2)OCO3)c1C
InChIInChI=1S/C18H22N2O3/c1-5-20-11(2)8-15(13(20)4)18(21)19-12(3)14-6-7-16-17(9-14)23-10-22-16/h6-9,12H,5,10H2,1-4H3,(H,19,21)
InChIKeyYRFRLVAOMYNFFA-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.34
Rot. Bonds4

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 24630049) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
PubChem CID24630049
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCCn1c(C)cc(C(=O)NC(C)c2ccc3c(c2)OCO3)c1C
InChIInChI=1S/C18H22N2O3/c1-5-20-11(2)8-15(13(20)4)18(21)19-12(3)14-6-7-16-17(9-14)23-10-22-16/h6-9,12H,5,10H2,1-4H3,(H,19,21)
InChIKeyYRFRLVAOMYNFFA-UHFFFAOYSA-N
XLogP3.34
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 55501486
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
CID 24630048
1-ethyl-2,5-dimethyl-N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]pyrrole-3-carboxamide
CID 96997257
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide
CID 51323702
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chlorofuran-3-carboxamide
CID 106685734
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide
CID 60648461
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]acetic acid
CID 129469491
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-methylthiophene-2-carboxamide
CID 843900
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chloroacetamide
CID 3554698
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18143629
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 51324001
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-bromobutanamide
CID 62855008

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide (CID 24630049) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide is CCn1c(C)cc(C(=O)NC(C)c2ccc3c(c2)OCO3)c1C.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is YRFRLVAOMYNFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-5-20-11(2)8-15(13(20)4)18(21)19-12(3)14-6-7-16-17(9-14)23-10-22-16/h6-9,12H,5,10H2,1-4H3,(H,19,21).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 24630049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).