1-(furan-2-ylmethyl)-2,5-dimethyl-N-(2-naphthalen-2-yloxyethyl)pyrrole-3-carboxamide

C24H24N2O3 — CID 46599371

IUPAC1-(furan-2-ylmethyl)-2,5-dimethyl-N-(2-naphthalen-2-yloxyethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCOc2ccc3ccccc3c2)c(C)n1Cc1ccco1
InChIInChI=1S/C24H24N2O3/c1-17-14-23(18(2)26(17)16-22-8-5-12-28-22)24(27)25-11-13-29-21-10-9-19-6-3-4-7-20(19)15-21/h3-10,12,14-15H,11,13,16H2,1-2H3,(H,25,27)
InChIKeyQPFYZVROKREYIV-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.71
Rot. Bonds7

About 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(2-naphthalen-2-yloxyethyl)pyrrole-3-carboxamide

1-(furan-2-ylmethyl)-2,5-dimethyl-N-(2-naphthalen-2-yloxyethyl)pyrrole-3-carboxamide (PubChem CID 46599371) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(2-naphthalen-2-yloxyethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2,5-dimethyl-N-(2-naphthalen-2-yloxyethyl)pyrrole-3-carboxamide
PubChem CID46599371
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name1-(furan-2-ylmethyl)-2,5-dimethyl-N-(2-naphthalen-2-yloxyethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCOc2ccc3ccccc3c2)c(C)n1Cc1ccco1
InChIInChI=1S/C24H24N2O3/c1-17-14-23(18(2)26(17)16-22-8-5-12-28-22)24(27)25-11-13-29-21-10-9-19-6-3-4-7-20(19)15-21/h3-10,12,14-15H,11,13,16H2,1-2H3,(H,25,27)
InChIKeyQPFYZVROKREYIV-UHFFFAOYSA-N
XLogP4.71
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-ylmethyl)-2,5-dimethyl-N-(3-phenylmethoxypropyl)pyrrole-3-carboxamide
CID 33117205
N-[3-[benzyl(methyl)amino]propyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 43047470
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 55747263
N-[2-(cyclohexen-1-yl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 32759998
N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30683396
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
1-(furan-2-ylmethyl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide
CID 3690278
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide
CID 94175396
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide
CID 34478434
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 32687612
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 56836781
1-(furan-2-ylmethyl)-2,5-dimethyl-N-quinolin-6-ylpyrrole-3-carboxamide
CID 60556111

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(2-naphthalen-2-yloxyethyl)pyrrole-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(2-naphthalen-2-yloxyethyl)pyrrole-3-carboxamide (CID 46599371) is 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(2-naphthalen-2-yloxyethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(2-naphthalen-2-yloxyethyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(2-naphthalen-2-yloxyethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)NCCOc2ccc3ccccc3c2)c(C)n1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(2-naphthalen-2-yloxyethyl)pyrrole-3-carboxamide?
The InChIKey is QPFYZVROKREYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-17-14-23(18(2)26(17)16-22-8-5-12-28-22)24(27)25-11-13-29-21-10-9-19-6-3-4-7-20(19)15-21/h3-10,12,14-15H,11,13,16H2,1-2H3,(H,25,27).
What are the key properties of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(2-naphthalen-2-yloxyethyl)pyrrole-3-carboxamide?
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(2-naphthalen-2-yloxyethyl)pyrrole-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2,5-dimethyl-N-(2-naphthalen-2-yloxyethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 46599371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).