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

C25H26N2O5 — CID 4651741

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccccc1Cn1c(C(=O)NCCc2ccc(OC)c(OC)c2)cc2occc21
InChIInChI=1S/C25H26N2O5/c1-29-21-7-5-4-6-18(21)16-27-19-11-13-32-23(19)15-20(27)25(28)26-12-10-17-8-9-22(30-2)24(14-17)31-3/h4-9,11,13-15H,10,12,16H2,1-3H3,(H,26,28)
InChIKeyXBWJKDSBOYIILI-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.28
Rot. Bonds9

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 4651741) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide
PubChem CID4651741
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccccc1Cn1c(C(=O)NCCc2ccc(OC)c(OC)c2)cc2occc21
InChIInChI=1S/C25H26N2O5/c1-29-21-7-5-4-6-18(21)16-27-19-11-13-32-23(19)15-20(27)25(28)26-12-10-17-8-9-22(30-2)24(14-17)31-3/h4-9,11,13-15H,10,12,16H2,1-3H3,(H,26,28)
InChIKeyXBWJKDSBOYIILI-UHFFFAOYSA-N
XLogP4.28
TPSA74.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42790861
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 3120473
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3-methylphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide
CID 7328150
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 30137323
4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42792567
4-[(3,5-dimethoxyphenyl)methyl]-N-propylfuro[3,2-b]pyrrole-5-carboxamide
CID 42792536
methyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
CID 20883200
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-propylfuro[3,2-b]pyrrole-5-carboxamide
CID 42791115
2-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 110451906
4-[(3,5-dimethoxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxamide
CID 42792526
2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 90486198
4-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide
CID 86911932

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide (CID 4651741) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide is COc1ccccc1Cn1c(C(=O)NCCc2ccc(OC)c(OC)c2)cc2occc21.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is XBWJKDSBOYIILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-29-21-7-5-4-6-18(21)16-27-19-11-13-32-23(19)15-20(27)25(28)26-12-10-17-8-9-22(30-2)24(14-17)31-3/h4-9,11,13-15H,10,12,16H2,1-3H3,(H,26,28).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 434.49 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 4651741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).