N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide

C20H21N3O3 — CID 30683396

IUPACN-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1
InChIInChI=1S/C20H21N3O3/c1-13-11-19(14(2)23(13)12-18-5-4-10-26-18)20(25)22-17-8-6-16(7-9-17)21-15(3)24/h4-11H,12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyLILIYJSNGHXVPO-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.96
Rot. Bonds5

About N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide

N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 30683396) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID30683396
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1
InChIInChI=1S/C20H21N3O3/c1-13-11-19(14(2)23(13)12-18-5-4-10-26-18)20(25)22-17-8-6-16(7-9-17)21-15(3)24/h4-11H,12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyLILIYJSNGHXVPO-UHFFFAOYSA-N
XLogP3.96
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-[4-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 60555964
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]pyrrole-3-carboxamide
CID 47008466
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-acetamidobenzoate
CID 7654151
1-(furan-2-ylmethyl)-2,5-dimethyl-N-quinolin-6-ylpyrrole-3-carboxamide
CID 60556111
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrole-3-carboxamide
CID 32967693
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-methylpyrazol-3-yl)pyrrole-3-carboxamide
CID 47011823
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(5-methylhexan-2-yl)pyrrole-3-carboxamide
CID 43020705
methyl 3-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]-4-methylbenzoate
CID 30994661
[2-(4-ethylanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8731544
N'-(4-ethylbenzoyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbohydrazide
CID 134049178
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30994481

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide (CID 30683396) is N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is LILIYJSNGHXVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-11-19(14(2)23(13)12-18-5-4-10-26-18)20(25)22-17-8-6-16(7-9-17)21-15(3)24/h4-11H,12H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 30683396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).