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

C16H19NO2 — CID 2933467

IUPAC2-methyl-N-(4-phenylbutan-2-yl)furan-3-carboxamide
SMILESCc1occc1C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C16H19NO2/c1-12(8-9-14-6-4-3-5-7-14)17-16(18)15-10-11-19-13(15)2/h3-7,10-12H,8-9H2,1-2H3,(H,17,18)
InChIKeyALPRXUCSNGBBNP-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.34
Rot. Bonds5

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

2-methyl-N-(4-phenylbutan-2-yl)furan-3-carboxamide (PubChem CID 2933467) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-methyl-N-(4-phenylbutan-2-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-phenylbutan-2-yl)furan-3-carboxamide
PubChem CID2933467
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-methyl-N-(4-phenylbutan-2-yl)furan-3-carboxamide
SMILESCc1occc1C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C16H19NO2/c1-12(8-9-14-6-4-3-5-7-14)17-16(18)15-10-11-19-13(15)2/h3-7,10-12H,8-9H2,1-2H3,(H,17,18)
InChIKeyALPRXUCSNGBBNP-UHFFFAOYSA-N
XLogP3.34
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-phenylbutan-2-yl)furan-3-carboxamide?
The IUPAC name of 2-methyl-N-(4-phenylbutan-2-yl)furan-3-carboxamide (CID 2933467) is 2-methyl-N-(4-phenylbutan-2-yl)furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-phenylbutan-2-yl)furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4-phenylbutan-2-yl)furan-3-carboxamide is Cc1occc1C(=O)NC(C)CCc1ccccc1.
What is the InChIKey of 2-methyl-N-(4-phenylbutan-2-yl)furan-3-carboxamide?
The InChIKey is ALPRXUCSNGBBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12(8-9-14-6-4-3-5-7-14)17-16(18)15-10-11-19-13(15)2/h3-7,10-12H,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-N-(4-phenylbutan-2-yl)furan-3-carboxamide?
2-methyl-N-(4-phenylbutan-2-yl)furan-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-phenylbutan-2-yl)furan-3-carboxamide is sourced from PubChem (CID 2933467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).