N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide

C22H22N2O4 — CID 20893918

IUPACN-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
SMILESCOc1ccc(OC)c(CCNC(=O)c2cc3oc4ccccc4c3n2C)c1
InChIInChI=1S/C22H22N2O4/c1-24-17(13-20-21(24)16-6-4-5-7-19(16)28-20)22(25)23-11-10-14-12-15(26-2)8-9-18(14)27-3/h4-9,12-13H,10-11H2,1-3H3,(H,23,25)
InChIKeyVUKHPFSTKFPHBV-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.91
Rot. Bonds6

About N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide

N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide (PubChem CID 20893918) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
PubChem CID20893918
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
SMILESCOc1ccc(OC)c(CCNC(=O)c2cc3oc4ccccc4c3n2C)c1
InChIInChI=1S/C22H22N2O4/c1-24-17(13-20-21(24)16-6-4-5-7-19(16)28-20)22(25)23-11-10-14-12-15(26-2)8-9-18(14)27-3/h4-9,12-13H,10-11H2,1-3H3,(H,23,25)
InChIKeyVUKHPFSTKFPHBV-UHFFFAOYSA-N
XLogP3.91
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxypropyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
CID 20893916
N-[2-(2,5-dimethoxyphenyl)ethyl]cinnoline-3-carboxamide
CID 110705099
N-[2-[3-(2,5-dimethoxyphenyl)propanoylamino]ethyl]-1-methylpyrrole-2-carboxamide
CID 25495501
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 22742653
N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 31115490
5-chloro-N-[2-(2,5-dimethoxyphenyl)ethyl]-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide
CID 20916435
3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121088682
N-[2-(2,5-dimethoxyphenyl)ethyl]-1,2-thiazole-5-carboxamide
CID 110692153
4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 119279771
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1-benzofuran-3-carboxamide
CID 110703150
N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 22517002
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide (CID 20893918) is N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide is COc1ccc(OC)c(CCNC(=O)c2cc3oc4ccccc4c3n2C)c1.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide?
The InChIKey is VUKHPFSTKFPHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-24-17(13-20-21(24)16-6-4-5-7-19(16)28-20)22(25)23-11-10-14-12-15(26-2)8-9-18(14)27-3/h4-9,12-13H,10-11H2,1-3H3,(H,23,25).
What are the key properties of N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide?
N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide is sourced from PubChem (CID 20893918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).