N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide

C16H19NO4 — CID 71781475

IUPACN-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(O)(c2ccco2)C2CC2)c(C)o1
InChIInChI=1S/C16H19NO4/c1-10-8-13(11(2)21-10)15(18)17-9-16(19,12-5-6-12)14-4-3-7-20-14/h3-4,7-8,12,19H,5-6,9H2,1-2H3,(H,17,18)
InChIKeyDEEVMTZSZPBAKD-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.52
Rot. Bonds5

About N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 71781475) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID71781475
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(O)(c2ccco2)C2CC2)c(C)o1
InChIInChI=1S/C16H19NO4/c1-10-8-13(11(2)21-10)15(18)17-9-16(19,12-5-6-12)14-4-3-7-20-14/h3-4,7-8,12,19H,5-6,9H2,1-2H3,(H,17,18)
InChIKeyDEEVMTZSZPBAKD-UHFFFAOYSA-N
XLogP2.52
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide (CID 71781475) is N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC(O)(c2ccco2)C2CC2)c(C)o1.
What is the InChIKey of N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is DEEVMTZSZPBAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10-8-13(11(2)21-10)15(18)17-9-16(19,12-5-6-12)14-4-3-7-20-14/h3-4,7-8,12,19H,5-6,9H2,1-2H3,(H,17,18).
What are the key properties of N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 71781475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).