4-tert-butyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide

C19H24N2O3 — CID 3243623

IUPAC4-tert-butyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H24N2O3/c1-19(2,3)15-8-6-14(7-9-15)18(23)20-11-10-17(22)21-13-16-5-4-12-24-16/h4-9,12H,10-11,13H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyYAJZGDOXDZTGPE-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.01
Rot. Bonds6

About 4-tert-butyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide

4-tert-butyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide (PubChem CID 3243623) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide
PubChem CID3243623
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name4-tert-butyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H24N2O3/c1-19(2,3)15-8-6-14(7-9-15)18(23)20-11-10-17(22)21-13-16-5-4-12-24-16/h4-9,12H,10-11,13H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyYAJZGDOXDZTGPE-UHFFFAOYSA-N
XLogP3.01
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide (CID 3243623) is 4-tert-butyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide is CC(C)(C)c1ccc(C(=O)NCCC(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide?
The InChIKey is YAJZGDOXDZTGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(2,3)15-8-6-14(7-9-15)18(23)20-11-10-17(22)21-13-16-5-4-12-24-16/h4-9,12H,10-11,13H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 4-tert-butyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide?
4-tert-butyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide has a molecular weight of 328.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 3243623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).