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

C23H24N2O3 — CID 55501486

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccc3c(c2)OCO3)c(C)n1Cc1ccccc1
InChIInChI=1S/C23H24N2O3/c1-15-11-20(17(3)25(15)13-18-7-5-4-6-8-18)23(26)24-16(2)19-9-10-21-22(12-19)28-14-27-21/h4-12,16H,13-14H2,1-3H3,(H,24,26)
InChIKeyJLZNUCLDRNABKS-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.37
Rot. Bonds5

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

N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 55501486) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
PubChem CID55501486
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccc3c(c2)OCO3)c(C)n1Cc1ccccc1
InChIInChI=1S/C23H24N2O3/c1-15-11-20(17(3)25(15)13-18-7-5-4-6-8-18)23(26)24-16(2)19-9-10-21-22(12-19)28-14-27-21/h4-12,16H,13-14H2,1-3H3,(H,24,26)
InChIKeyJLZNUCLDRNABKS-UHFFFAOYSA-N
XLogP4.37
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 24630049
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-5-ethylpyrazole-4-carboxamide
CID 78873469
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 55747263
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-benzylurea
CID 17457631
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
CID 24630048
2-[(1-benzyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanediamide
CID 56807575
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(N-methylanilino)benzamide
CID 71894359
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-phenylbenzamide
CID 56725272
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78858541
1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-chloroethanone
CID 2412322
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide (CID 55501486) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)NC(C)c2ccc3c(c2)OCO3)c(C)n1Cc1ccccc1.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is JLZNUCLDRNABKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-15-11-20(17(3)25(15)13-18-7-5-4-6-8-18)23(26)24-16(2)19-9-10-21-22(12-19)28-14-27-21/h4-12,16H,13-14H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.37, 5 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-benzyl-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 55501486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).