1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide

C18H18N2O3 — CID 3731735

IUPAC1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c(C)n2Cc2ccco2)cc1
InChIInChI=1S/C18H18N2O3/c1-12-16(18(19)21)10-17(13-5-7-14(22-2)8-6-13)20(12)11-15-4-3-9-23-15/h3-10H,11H2,1-2H3,(H2,19,21)
InChIKeyIFWGYQRHPYIHTG-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.21
Rot. Bonds5

About 1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide

1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide (PubChem CID 3731735) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
PubChem CID3731735
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c(C)n2Cc2ccco2)cc1
InChIInChI=1S/C18H18N2O3/c1-12-16(18(19)21)10-17(13-5-7-14(22-2)8-6-13)20(12)11-15-4-3-9-23-15/h3-10H,11H2,1-2H3,(H2,19,21)
InChIKeyIFWGYQRHPYIHTG-UHFFFAOYSA-N
XLogP3.21
TPSA70.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-difluorophenyl)-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide
CID 4665187
1-[(4-methoxyphenyl)methyl]-2-methyl-5-(4-methylphenyl)pyrrole-3-carboxamide
CID 3863509
1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 68561015
5-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide
CID 3839367
1-(furan-2-ylmethyl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide
CID 3346250
1-(furan-2-ylmethyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3844613
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590398
1-(furan-2-ylmethyl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide
CID 3690278
5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide
CID 3848823
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8648799
[1-(furan-2-ylmethyl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpyrrol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 134082457
2-methyl-5-(4-methylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 3863074

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide (CID 3731735) is 1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide is COc1ccc(-c2cc(C(N)=O)c(C)n2Cc2ccco2)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The InChIKey is IFWGYQRHPYIHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-16(18(19)21)10-17(13-5-7-14(22-2)8-6-13)20(12)11-15-4-3-9-23-15/h3-10H,11H2,1-2H3,(H2,19,21).
What are the key properties of 1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 3731735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).