4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide

C30H31N3O3 — CID 30798139

IUPAC4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(CC(=O)N(Cc2ccccc2)Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C30H31N3O3/c1-31-30(35)27-16-14-26(15-17-27)19-32(22-28-13-8-18-36-28)23-29(34)33(20-24-9-4-2-5-10-24)21-25-11-6-3-7-12-25/h2-18H,19-23H2,1H3,(H,31,35)
InChIKeyYXKCXBXCXQAGAS-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.87
Rot. Bonds11

About 4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide

4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide (PubChem CID 30798139) has the molecular formula C30H31N3O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is 4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
PubChem CID30798139
Molecular FormulaC30H31N3O3
Molecular Weight481.60 g/mol
Exact Mass481.24
IUPAC Name4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(CC(=O)N(Cc2ccccc2)Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C30H31N3O3/c1-31-30(35)27-16-14-26(15-17-27)19-32(22-28-13-8-18-36-28)23-29(34)33(20-24-9-4-2-5-10-24)21-25-11-6-3-7-12-25/h2-18H,19-23H2,1H3,(H,31,35)
InChIKeyYXKCXBXCXQAGAS-UHFFFAOYSA-N
XLogP4.87
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[[furan-2-ylmethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]methyl]-N-methylbenzamide
CID 42947752
4-[[[2-(dibenzylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003318
4-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 86936719
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4-[[furan-2-ylmethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-N-methylbenzamide
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4-[[[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 86873665
4-[[furan-2-ylmethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]methyl]-N-methylbenzamide
CID 30869878
ethyl (E)-3-[4-[[2-[furan-2-ylmethyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]phenyl]prop-2-enoate
CID 30798209
2-[bis(furan-2-ylmethyl)amino]-N-methylacetamide
CID 27118866

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide (CID 30798139) is 4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(CC(=O)N(Cc2ccccc2)Cc2ccccc2)Cc2ccco2)cc1.
What is the InChIKey of 4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide?
The InChIKey is YXKCXBXCXQAGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3/c1-31-30(35)27-16-14-26(15-17-27)19-32(22-28-13-8-18-36-28)23-29(34)33(20-24-9-4-2-5-10-24)21-25-11-6-3-7-12-25/h2-18H,19-23H2,1H3,(H,31,35).
What are the key properties of 4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide?
4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide has a molecular weight of 481.60 g/mol, XLogP of 4.87, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 30798139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).