4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide

C17H20N2O3 — CID 48845379

IUPAC4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
SMILESCC(C)(C)NC(=O)c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H20N2O3/c1-17(2,3)19-16(21)13-8-6-12(7-9-13)15(20)18-11-14-5-4-10-22-14/h4-10H,11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyZCDUZFYYCLSEAA-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.74
Rot. Bonds4

About 4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide

4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide (PubChem CID 48845379) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
PubChem CID48845379
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
SMILESCC(C)(C)NC(=O)c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H20N2O3/c1-17(2,3)19-16(21)13-8-6-12(7-9-13)15(20)18-11-14-5-4-10-22-14/h4-10H,11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyZCDUZFYYCLSEAA-UHFFFAOYSA-N
XLogP2.74
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842839
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046595
[4-(furan-2-ylmethylcarbamoyl)phenyl]boronic acid;molecular hydrogen
CID 159533329
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226
3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834747
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)benzamide
CID 15943207
4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045256
N-(furan-2-ylmethyl)-4-sulfamoylbenzamide
CID 10356308
4-N-(2,6-diethylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046593

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide (CID 48845379) is 4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide is CC(C)(C)NC(=O)c1ccc(C(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide?
The InChIKey is ZCDUZFYYCLSEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-17(2,3)19-16(21)13-8-6-12(7-9-13)15(20)18-11-14-5-4-10-22-14/h4-10H,11H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide?
4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 48845379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).