4-tert-butyl-N-(furan-2-ylmethyl)benzamide

C16H19NO2 — CID 674888

IUPAC4-tert-butyl-N-(furan-2-ylmethyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H19NO2/c1-16(2,3)13-8-6-12(7-9-13)15(18)17-11-14-5-4-10-19-14/h4-10H,11H2,1-3H3,(H,17,18)
InChIKeySVRFJMBJZYKSBU-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.51
Rot. Bonds3

About 4-tert-butyl-N-(furan-2-ylmethyl)benzamide

4-tert-butyl-N-(furan-2-ylmethyl)benzamide (PubChem CID 674888) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-tert-butyl-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(furan-2-ylmethyl)benzamide
PubChem CID674888
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-tert-butyl-N-(furan-2-ylmethyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H19NO2/c1-16(2,3)13-8-6-12(7-9-13)15(18)17-11-14-5-4-10-19-14/h4-10H,11H2,1-3H3,(H,17,18)
InChIKeySVRFJMBJZYKSBU-UHFFFAOYSA-N
XLogP3.51
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Furfenorex
CID 26762
N-(2-Furylmethyl)benzamide
CID 236716
N-(furan-2-ylmethyl)-2-hydroxybenzamide
CID 673217
Furfurylamine, alpha-benzyl-N-ethyl-
CID 52652
Furfurylamphetamine
CID 18116
N-(2-Furylmethyl)-2-methoxybenzamide
CID 803371
4-tert-butyl-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 2222870
acs.jmedchem.1c00409_ST.164
CID 9903743
N-(2-Furylmethyl)-3-phenylacrylamide
CID 732131
5-[(4-tert-butylphenoxy)methyl]-N-isopropyl-2-furamide
CID 892519
5-[(4-tert-butylphenoxy)methyl]-N-propyl-2-furamide
CID 2166341
4-tert-butyl-N-(2-phenoxyethyl)benzamide
CID 2244662

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(furan-2-ylmethyl)benzamide (CID 674888) is 4-tert-butyl-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(furan-2-ylmethyl)benzamide is CC(C)(C)c1ccc(C(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-tert-butyl-N-(furan-2-ylmethyl)benzamide?
The InChIKey is SVRFJMBJZYKSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-16(2,3)13-8-6-12(7-9-13)15(18)17-11-14-5-4-10-19-14/h4-10H,11H2,1-3H3,(H,17,18).
What are the key properties of 4-tert-butyl-N-(furan-2-ylmethyl)benzamide?
4-tert-butyl-N-(furan-2-ylmethyl)benzamide has a molecular weight of 257.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 674888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).