4-[[furan-2-ylmethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]methyl]-N-methylbenzamide

C30H31N3O3 — CID 42947752

IUPAC4-[[furan-2-ylmethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(CC(=O)NC(C)c2ccc(-c3ccccc3)cc2)Cc2ccco2)cc1
InChIInChI=1S/C30H31N3O3/c1-22(24-14-16-26(17-15-24)25-7-4-3-5-8-25)32-29(34)21-33(20-28-9-6-18-36-28)19-23-10-12-27(13-11-23)30(35)31-2/h3-18,22H,19-21H2,1-2H3,(H,31,35)(H,32,34)
InChIKeyDJAYGRMZMBVMLA-UHFFFAOYSA-N
MW481.60 g/mol
LogP5.19
Rot. Bonds10

About 4-[[furan-2-ylmethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]methyl]-N-methylbenzamide

4-[[furan-2-ylmethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]methyl]-N-methylbenzamide (PubChem CID 42947752) has the molecular formula C30H31N3O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is 4-[[furan-2-ylmethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[furan-2-ylmethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]methyl]-N-methylbenzamide
PubChem CID42947752
Molecular FormulaC30H31N3O3
Molecular Weight481.60 g/mol
Exact Mass481.24
IUPAC Name4-[[furan-2-ylmethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(CC(=O)NC(C)c2ccc(-c3ccccc3)cc2)Cc2ccco2)cc1
InChIInChI=1S/C30H31N3O3/c1-22(24-14-16-26(17-15-24)25-7-4-3-5-8-25)32-29(34)21-33(20-28-9-6-18-36-28)19-23-10-12-27(13-11-23)30(35)31-2/h3-18,22H,19-21H2,1-2H3,(H,31,35)(H,32,34)
InChIKeyDJAYGRMZMBVMLA-UHFFFAOYSA-N
XLogP5.19
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 30798139
4-[[[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 86873665
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 78822968
2-[acetyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 113160988
4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 34941214
2-[bis(furan-2-ylmethyl)amino]-N-methylacetamide
CID 27118866
2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 7999685
4-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 86936719
4-[[furan-2-ylmethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-N-methylbenzamide
CID 34214609
N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
CID 54846211
ethyl (E)-3-[4-[[2-[furan-2-ylmethyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]phenyl]prop-2-enoate
CID 30798209
4-[[furan-2-ylmethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]methyl]-N-methylbenzamide
CID 30869878

Frequently Asked Questions

What is the IUPAC name of 4-[[furan-2-ylmethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[furan-2-ylmethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]methyl]-N-methylbenzamide (CID 42947752) is 4-[[furan-2-ylmethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[furan-2-ylmethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[furan-2-ylmethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(CC(=O)NC(C)c2ccc(-c3ccccc3)cc2)Cc2ccco2)cc1.
What is the InChIKey of 4-[[furan-2-ylmethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]methyl]-N-methylbenzamide?
The InChIKey is DJAYGRMZMBVMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3/c1-22(24-14-16-26(17-15-24)25-7-4-3-5-8-25)32-29(34)21-33(20-28-9-6-18-36-28)19-23-10-12-27(13-11-23)30(35)31-2/h3-18,22H,19-21H2,1-2H3,(H,31,35)(H,32,34).
What are the key properties of 4-[[furan-2-ylmethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]methyl]-N-methylbenzamide?
4-[[furan-2-ylmethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]methyl]-N-methylbenzamide has a molecular weight of 481.60 g/mol, XLogP of 5.19, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[furan-2-ylmethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 42947752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).