N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-2-methylbenzamide

C28H26N2O3 — CID 46045835

IUPACN-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCc2ccco2)cc1
InChIInChI=1S/C28H26N2O3/c1-21-8-5-6-12-26(21)28(32)30(20-23-9-3-2-4-10-23)24-15-13-22(14-16-24)18-27(31)29-19-25-11-7-17-33-25/h2-17H,18-20H2,1H3,(H,29,31)
InChIKeyKWSIDVMGQFBNAE-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.29
Rot. Bonds8

About N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-2-methylbenzamide

N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-2-methylbenzamide (PubChem CID 46045835) has the molecular formula C28H26N2O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-2-methylbenzamide
PubChem CID46045835
Molecular FormulaC28H26N2O3
Molecular Weight438.53 g/mol
Exact Mass438.19
IUPAC NameN-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCc2ccco2)cc1
InChIInChI=1S/C28H26N2O3/c1-21-8-5-6-12-26(21)28(32)30(20-23-9-3-2-4-10-23)24-15-13-22(14-16-24)18-27(31)29-19-25-11-7-17-33-25/h2-17H,18-20H2,1H3,(H,29,31)
InChIKeyKWSIDVMGQFBNAE-UHFFFAOYSA-N
XLogP5.29
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-2-methylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 46045794
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46045761
3-fluoro-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46045747
N-benzyl-2-methyl-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]benzamide
CID 46052536
N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 46046017
N-[(3-fluorophenyl)methyl]-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46045951
2-(furan-2-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 110690604
N-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 34907709
2-methyl-N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]benzamide
CID 46057076
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide
CID 92987128
N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771277

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-2-methylbenzamide (CID 46045835) is N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCc2ccco2)cc1.
What is the InChIKey of N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-2-methylbenzamide?
The InChIKey is KWSIDVMGQFBNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3/c1-21-8-5-6-12-26(21)28(32)30(20-23-9-3-2-4-10-23)24-15-13-22(14-16-24)18-27(31)29-19-25-11-7-17-33-25/h2-17H,18-20H2,1H3,(H,29,31).
What are the key properties of N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-2-methylbenzamide?
N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-2-methylbenzamide has a molecular weight of 438.53 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 46045835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).