3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide

C26H28N4O5 — CID 54836925

IUPAC3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(CNc1cccc(C(=O)NCC2CCCO2)c1)Nc1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C26H28N4O5/c31-24(30-20-10-8-18(9-11-20)25(32)28-15-22-6-2-12-34-22)17-27-21-5-1-4-19(14-21)26(33)29-16-23-7-3-13-35-23/h1-2,4-6,8-12,14,23,27H,3,7,13,15-17H2,(H,28,32)(H,29,33)(H,30,31)
InChIKeyFRDFSROMDDZJMS-UHFFFAOYSA-N
MW476.53 g/mol
LogP3.17
Rot. Bonds10

About 3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide

3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 54836925) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is 3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID54836925
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Name3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(CNc1cccc(C(=O)NCC2CCCO2)c1)Nc1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C26H28N4O5/c31-24(30-20-10-8-18(9-11-20)25(32)28-15-22-6-2-12-34-22)17-27-21-5-1-4-19(14-21)26(33)29-16-23-7-3-13-35-23/h1-2,4-6,8-12,14,23,27H,3,7,13,15-17H2,(H,28,32)(H,29,33)(H,30,31)
InChIKeyFRDFSROMDDZJMS-UHFFFAOYSA-N
XLogP3.17
TPSA121.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837191
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837074
3-[[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-propylbenzamide
CID 54838784
3-methyl-N-[4-[[2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54837105
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842684
N-(furan-2-ylmethyl)-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834687
N-(furan-2-ylmethyl)-3-[[2-oxo-2-[4-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54834695
3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834477
3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840551
N-cyclohexyl-3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54831065
N-(furan-2-ylmethyl)-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54842914
3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837003

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide (CID 54836925) is 3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide is O=C(CNc1cccc(C(=O)NCC2CCCO2)c1)Nc1ccc(C(=O)NCc2ccco2)cc1.
What is the InChIKey of 3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is FRDFSROMDDZJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c31-24(30-20-10-8-18(9-11-20)25(32)28-15-22-6-2-12-34-22)17-27-21-5-1-4-19(14-21)26(33)29-16-23-7-3-13-35-23/h1-2,4-6,8-12,14,23,27H,3,7,13,15-17H2,(H,28,32)(H,29,33)(H,30,31).
What are the key properties of 3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 476.53 g/mol, XLogP of 3.17, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 54836925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).