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

C20H25N3O4 — CID 42792526

IUPAC4-[(3,5-dimethoxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxamide
SMILESCOc1cc(Cn2c(C(=O)NCCN(C)C)cc3occc32)cc(OC)c1
InChIInChI=1S/C20H25N3O4/c1-22(2)7-6-21-20(24)18-12-19-17(5-8-27-19)23(18)13-14-9-15(25-3)11-16(10-14)26-4/h5,8-12H,6-7,13H2,1-4H3,(H,21,24)
InChIKeyONAFNJUMNMBALC-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.59
Rot. Bonds8

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

4-[(3,5-dimethoxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 42792526) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-[(3,5-dimethoxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethoxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxamide
PubChem CID42792526
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name4-[(3,5-dimethoxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxamide
SMILESCOc1cc(Cn2c(C(=O)NCCN(C)C)cc3occc32)cc(OC)c1
InChIInChI=1S/C20H25N3O4/c1-22(2)7-6-21-20(24)18-12-19-17(5-8-27-19)23(18)13-14-9-15(25-3)11-16(10-14)26-4/h5,8-12H,6-7,13H2,1-4H3,(H,21,24)
InChIKeyONAFNJUMNMBALC-UHFFFAOYSA-N
XLogP2.59
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3,5-dimethoxyphenyl)methyl]-N-propylfuro[3,2-b]pyrrole-5-carboxamide
CID 42792536
4-(cyclobutylmethyl)-N-[2-(dimethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxamide
CID 7361911
4-benzyl-N-(3-hydroxypropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 45496120
2-[[4-[(4-tert-butylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]ethyl-dimethylazanium
CID 7417311
4-(cyclobutylmethyl)-N-(3-methoxypropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42792645
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 4651741
N,4-dibutylfuro[3,2-b]pyrrole-5-carboxamide
CID 3637931
4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42790861
4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 45494460
methyl (2R)-2-[(4-benzylfuro[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate
CID 51974065
N-[2-(dimethylamino)ethyl]-2,4,6-trimethoxybenzamide
CID 110764619
4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42792567

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethoxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(3,5-dimethoxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxamide (CID 42792526) is 4-[(3,5-dimethoxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethoxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(3,5-dimethoxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxamide is COc1cc(Cn2c(C(=O)NCCN(C)C)cc3occc32)cc(OC)c1.
What is the InChIKey of 4-[(3,5-dimethoxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is ONAFNJUMNMBALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-22(2)7-6-21-20(24)18-12-19-17(5-8-27-19)23(18)13-14-9-15(25-3)11-16(10-14)26-4/h5,8-12H,6-7,13H2,1-4H3,(H,21,24).
What are the key properties of 4-[(3,5-dimethoxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxamide?
4-[(3,5-dimethoxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethoxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42792526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).