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

C22H28N2O3 — CID 24630048

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccc3c(c2)OCO3)c(C)n1C1CCCCC1
InChIInChI=1S/C22H28N2O3/c1-14-11-19(16(3)24(14)18-7-5-4-6-8-18)22(25)23-15(2)17-9-10-20-21(12-17)27-13-26-20/h9-12,15,18H,4-8,13H2,1-3H3,(H,23,25)
InChIKeyFPIAUPBPUPCCSE-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.83
Rot. Bonds4

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

N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 24630048) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
PubChem CID24630048
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccc3c(c2)OCO3)c(C)n1C1CCCCC1
InChIInChI=1S/C22H28N2O3/c1-14-11-19(16(3)24(14)18-7-5-4-6-8-18)22(25)23-15(2)17-9-10-20-21(12-17)27-13-26-20/h9-12,15,18H,4-8,13H2,1-3H3,(H,23,25)
InChIKeyFPIAUPBPUPCCSE-UHFFFAOYSA-N
XLogP4.83
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.83
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-2,5-dimethylpyrrole-3-carboxamide
CID 55501486
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea
CID 6466690
2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid
CID 119170063
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chlorofuran-3-carboxamide
CID 106685734
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide
CID 51323702
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclopropylurea
CID 47139460
N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide
CID 43704400
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-methylthiophene-2-carboxamide
CID 843900
(2S)-2-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide
CID 61178173
1-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-[(2R)-3-methylbutan-2-yl]urea
CID 38290576
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide
CID 43567784

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide (CID 24630048) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)NC(C)c2ccc3c(c2)OCO3)c(C)n1C1CCCCC1.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is FPIAUPBPUPCCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-14-11-19(16(3)24(14)18-7-5-4-6-8-18)22(25)23-15(2)17-9-10-20-21(12-17)27-13-26-20/h9-12,15,18H,4-8,13H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 4.83, 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-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 24630048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).