N-(1-benzofuran-2-ylmethyl)-2-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide

C18H20N2O3 — CID 172889121

IUPACN-(1-benzofuran-2-ylmethyl)-2-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide
SMILESC=CC(=O)N1CCCC1(C)C(=O)NCc1cc2ccccc2o1
InChIInChI=1S/C18H20N2O3/c1-3-16(21)20-10-6-9-18(20,2)17(22)19-12-14-11-13-7-4-5-8-15(13)23-14/h3-5,7-8,11H,1,6,9-10,12H2,2H3,(H,19,22)
InChIKeyPYUYKXGFFIDBSR-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.62
Rot. Bonds4

About N-(1-benzofuran-2-ylmethyl)-2-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide

N-(1-benzofuran-2-ylmethyl)-2-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide (PubChem CID 172889121) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-2-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-2-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide
PubChem CID172889121
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(1-benzofuran-2-ylmethyl)-2-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide
SMILESC=CC(=O)N1CCCC1(C)C(=O)NCc1cc2ccccc2o1
InChIInChI=1S/C18H20N2O3/c1-3-16(21)20-10-6-9-18(20,2)17(22)19-12-14-11-13-7-4-5-8-15(13)23-14/h3-5,7-8,11H,1,6,9-10,12H2,2H3,(H,19,22)
InChIKeyPYUYKXGFFIDBSR-UHFFFAOYSA-N
XLogP2.62
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
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1-(1-benzofuran-2-ylmethyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
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1-(1-benzofuran-2-ylmethyl)-3,3-dimethylpiperidine;hydrochloride
CID 57395907
1-(1-benzofuran-2-ylmethyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)urea
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N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide
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methyl 1-[N-(1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
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CID 86994486
N-(1-benzofuran-2-ylmethyl)-2-cyclohexyloxyacetamide
CID 87001290
N-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide
CID 140966924
N-(1-benzofuran-2-ylmethyl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide (CID 172889121) is N-(1-benzofuran-2-ylmethyl)-2-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-2-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-2-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide is C=CC(=O)N1CCCC1(C)C(=O)NCc1cc2ccccc2o1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-2-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide?
The InChIKey is PYUYKXGFFIDBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-16(21)20-10-6-9-18(20,2)17(22)19-12-14-11-13-7-4-5-8-15(13)23-14/h3-5,7-8,11H,1,6,9-10,12H2,2H3,(H,19,22).
What are the key properties of N-(1-benzofuran-2-ylmethyl)-2-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide?
N-(1-benzofuran-2-ylmethyl)-2-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-2-methyl-1-prop-2-enoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 172889121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).