2-methyl-N-(4-phenyloxan-4-yl)furan-3-carboxamide

C17H19NO3 — CID 97212673

IUPAC2-methyl-N-(4-phenyloxan-4-yl)furan-3-carboxamide
SMILESCc1occc1C(=O)NC1(c2ccccc2)CCOCC1
InChIInChI=1S/C17H19NO3/c1-13-15(7-10-21-13)16(19)18-17(8-11-20-12-9-17)14-5-3-2-4-6-14/h2-7,10H,8-9,11-12H2,1H3,(H,18,19)
InChIKeyHHAYRZQPQCXOHM-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.02
Rot. Bonds3

About 2-methyl-N-(4-phenyloxan-4-yl)furan-3-carboxamide

2-methyl-N-(4-phenyloxan-4-yl)furan-3-carboxamide (PubChem CID 97212673) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-methyl-N-(4-phenyloxan-4-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-phenyloxan-4-yl)furan-3-carboxamide
PubChem CID97212673
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-methyl-N-(4-phenyloxan-4-yl)furan-3-carboxamide
SMILESCc1occc1C(=O)NC1(c2ccccc2)CCOCC1
InChIInChI=1S/C17H19NO3/c1-13-15(7-10-21-13)16(19)18-17(8-11-20-12-9-17)14-5-3-2-4-6-14/h2-7,10H,8-9,11-12H2,1H3,(H,18,19)
InChIKeyHHAYRZQPQCXOHM-UHFFFAOYSA-N
XLogP3.02
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-phenyloxan-4-yl)furan-3-carboxamide?
The IUPAC name of 2-methyl-N-(4-phenyloxan-4-yl)furan-3-carboxamide (CID 97212673) is 2-methyl-N-(4-phenyloxan-4-yl)furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-phenyloxan-4-yl)furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4-phenyloxan-4-yl)furan-3-carboxamide is Cc1occc1C(=O)NC1(c2ccccc2)CCOCC1.
What is the InChIKey of 2-methyl-N-(4-phenyloxan-4-yl)furan-3-carboxamide?
The InChIKey is HHAYRZQPQCXOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-13-15(7-10-21-13)16(19)18-17(8-11-20-12-9-17)14-5-3-2-4-6-14/h2-7,10H,8-9,11-12H2,1H3,(H,18,19).
What are the key properties of 2-methyl-N-(4-phenyloxan-4-yl)furan-3-carboxamide?
2-methyl-N-(4-phenyloxan-4-yl)furan-3-carboxamide has a molecular weight of 285.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-phenyloxan-4-yl)furan-3-carboxamide is sourced from PubChem (CID 97212673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).