3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide

C30H28N4O3 — CID 54842144

IUPAC3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C30H28N4O3/c1-34(21-22-10-4-2-5-11-22)30(37)24-14-8-15-25(18-24)31-20-28(35)32-26-16-9-17-27(19-26)33-29(36)23-12-6-3-7-13-23/h2-19,31H,20-21H2,1H3,(H,32,35)(H,33,36)
InChIKeyVTKKWONWUSSHBD-UHFFFAOYSA-N
MW492.58 g/mol
LogP5.26
Rot. Bonds9

About 3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide

3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide (PubChem CID 54842144) has the molecular formula C30H28N4O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is 3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
PubChem CID54842144
Molecular FormulaC30H28N4O3
Molecular Weight492.58 g/mol
Exact Mass492.22
IUPAC Name3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C30H28N4O3/c1-34(21-22-10-4-2-5-11-22)30(37)24-14-8-15-25(18-24)31-20-28(35)32-26-16-9-17-27(19-26)33-29(36)23-12-6-3-7-13-23/h2-19,31H,20-21H2,1H3,(H,32,35)(H,33,36)
InChIKeyVTKKWONWUSSHBD-UHFFFAOYSA-N
XLogP5.26
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide
CID 54831451
3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54841952
3-[[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833586
N-benzyl-3-[[2-[3-(hexanoylamino)anilino]acetyl]amino]-N-methylbenzamide
CID 54841033
N-benzyl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54842043
N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide
CID 54813258
N-benzyl-3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-methylbenzamide
CID 54816242
N-benzyl-3-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54842189
N-[3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839121
N-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide
CID 54813861
methyl 4-[[2-[3-[benzyl(methyl)carbamoyl]anilino]acetyl]amino]benzoate
CID 54842086

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide?
The IUPAC name of 3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide (CID 54842144) is 3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide.
What is the SMILES notation for 3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide?
The canonical SMILES for 3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1cccc(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1.
What is the InChIKey of 3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide?
The InChIKey is VTKKWONWUSSHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O3/c1-34(21-22-10-4-2-5-11-22)30(37)24-14-8-15-25(18-24)31-20-28(35)32-26-16-9-17-27(19-26)33-29(36)23-12-6-3-7-13-23/h2-19,31H,20-21H2,1H3,(H,32,35)(H,33,36).
What are the key properties of 3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide?
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide has a molecular weight of 492.58 g/mol, XLogP of 5.26, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide is sourced from PubChem (CID 54842144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).