4-(2-ethylbutanoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide

C16H20N2O3 — CID 4310617

IUPAC4-(2-ethylbutanoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCCC(CC)C(=O)c1c[nH]c(C(=O)NCc2ccco2)c1
InChIInChI=1S/C16H20N2O3/c1-3-11(4-2)15(19)12-8-14(17-9-12)16(20)18-10-13-6-5-7-21-13/h5-9,11,17H,3-4,10H2,1-2H3,(H,18,20)
InChIKeyVVBJLPAWVKYPQE-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.16
Rot. Bonds7

About 4-(2-ethylbutanoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide

4-(2-ethylbutanoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 4310617) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(2-ethylbutanoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-ethylbutanoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID4310617
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-(2-ethylbutanoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCCC(CC)C(=O)c1c[nH]c(C(=O)NCc2ccco2)c1
InChIInChI=1S/C16H20N2O3/c1-3-11(4-2)15(19)12-8-14(17-9-12)16(20)18-10-13-6-5-7-21-13/h5-9,11,17H,3-4,10H2,1-2H3,(H,18,20)
InChIKeyVVBJLPAWVKYPQE-UHFFFAOYSA-N
XLogP3.16
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutanoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2-ethylbutanoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide (CID 4310617) is 4-(2-ethylbutanoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-ethylbutanoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2-ethylbutanoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide is CCC(CC)C(=O)c1c[nH]c(C(=O)NCc2ccco2)c1.
What is the InChIKey of 4-(2-ethylbutanoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is VVBJLPAWVKYPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-11(4-2)15(19)12-8-14(17-9-12)16(20)18-10-13-6-5-7-21-13/h5-9,11,17H,3-4,10H2,1-2H3,(H,18,20).
What are the key properties of 4-(2-ethylbutanoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
4-(2-ethylbutanoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutanoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 4310617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).