N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3-methylphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide

C25H26N2O4 — CID 7328150

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3-methylphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3ccoc3n2Cc2cccc(C)c2)cc1OC
InChIInChI=1S/C25H26N2O4/c1-17-5-4-6-19(13-17)16-27-21(15-20-10-12-31-25(20)27)24(28)26-11-9-18-7-8-22(29-2)23(14-18)30-3/h4-8,10,12-15H,9,11,16H2,1-3H3,(H,26,28)
InChIKeyACPIVKRCYWMOHE-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.58
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3-methylphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3-methylphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide (PubChem CID 7328150) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3-methylphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3-methylphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide
PubChem CID7328150
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3-methylphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3ccoc3n2Cc2cccc(C)c2)cc1OC
InChIInChI=1S/C25H26N2O4/c1-17-5-4-6-19(13-17)16-27-21(15-20-10-12-31-25(20)27)24(28)26-11-9-18-7-8-22(29-2)23(14-18)30-3/h4-8,10,12-15H,9,11,16H2,1-3H3,(H,26,28)
InChIKeyACPIVKRCYWMOHE-UHFFFAOYSA-N
XLogP4.58
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-2-carboxamide
CID 70789735
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 4651741
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42758331
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 30464265
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053783
N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3-methylbenzamide
CID 17359975
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 3577494
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1-benzofuran-3-carboxamide
CID 110703150
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methylanilino)pyridine-2-carboxamide
CID 109215403
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 3705348
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095683
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3-methylphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3-methylphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide (CID 7328150) is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3-methylphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3-methylphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3-methylphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide is COc1ccc(CCNC(=O)c2cc3ccoc3n2Cc2cccc(C)c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3-methylphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide?
The InChIKey is ACPIVKRCYWMOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-17-5-4-6-19(13-17)16-27-21(15-20-10-12-31-25(20)27)24(28)26-11-9-18-7-8-22(29-2)23(14-18)30-3/h4-8,10,12-15H,9,11,16H2,1-3H3,(H,26,28).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3-methylphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3-methylphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3-methylphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 7328150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).