4-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide

C22H23N3O4 — CID 9333882

IUPAC4-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CN(C)Cc3ccco3)cc2)cc1
InChIInChI=1S/C22H23N3O4/c1-25(14-20-4-3-13-29-20)15-21(26)23-17-7-5-16(6-8-17)22(27)24-18-9-11-19(28-2)12-10-18/h3-13H,14-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyKSPNCPGACWTYIQ-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.61
Rot. Bonds8

About 4-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide

4-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide (PubChem CID 9333882) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 4-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
PubChem CID9333882
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name4-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CN(C)Cc3ccco3)cc2)cc1
InChIInChI=1S/C22H23N3O4/c1-25(14-20-4-3-13-29-20)15-21(26)23-17-7-5-16(6-8-17)22(27)24-18-9-11-19(28-2)12-10-18/h3-13H,14-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyKSPNCPGACWTYIQ-UHFFFAOYSA-N
XLogP3.61
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222820
N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 31379581
4-(furan-2-ylmethylsulfanylmethyl)-N-(4-methoxyphenyl)benzamide
CID 1269729
N-[4-(dimethylsulfamoyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9331913
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(4-methoxyphenyl)propanamide
CID 113138556
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
3,4-dichloro-N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3663549
N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
CID 110178700
methyl 5-[[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 9222565
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656142
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate
CID 42978945
N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-phenylpropanamide
CID 4064620

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide (CID 9333882) is 4-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)CN(C)Cc3ccco3)cc2)cc1.
What is the InChIKey of 4-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is KSPNCPGACWTYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-25(14-20-4-3-13-29-20)15-21(26)23-17-7-5-16(6-8-17)22(27)24-18-9-11-19(28-2)12-10-18/h3-13H,14-15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 4-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide?
4-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 393.44 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 9333882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).