N-benzyl-3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzamide

C24H25N3O2 — CID 54842992

IUPACN-benzyl-3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzamide
SMILESCc1ccc(C)c(NC(=O)CNc2cccc(C(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C24H25N3O2/c1-17-11-12-18(2)22(13-17)27-23(28)16-25-21-10-6-9-20(14-21)24(29)26-15-19-7-4-3-5-8-19/h3-14,25H,15-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyILGOAPPNXIBMHW-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.28
Rot. Bonds7

About N-benzyl-3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzamide

N-benzyl-3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzamide (PubChem CID 54842992) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-benzyl-3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzamide
PubChem CID54842992
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-benzyl-3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzamide
SMILESCc1ccc(C)c(NC(=O)CNc2cccc(C(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C24H25N3O2/c1-17-11-12-18(2)22(13-17)27-23(28)16-25-21-10-6-9-20(14-21)24(29)26-15-19-7-4-3-5-8-19/h3-14,25H,15-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyILGOAPPNXIBMHW-UHFFFAOYSA-N
XLogP4.28
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide
CID 54842929
3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842310
N-benzyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54844304
3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54841883
N-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide
CID 9253155
N-benzyl-3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844588
N-benzyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54844716
N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844536
N-benzyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54843216
methyl 3-[[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 47013640
3-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-butan-2-ylbenzamide
CID 54834929
methyl 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817135

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-benzyl-3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzamide (CID 54842992) is N-benzyl-3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-benzyl-3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-benzyl-3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzamide is Cc1ccc(C)c(NC(=O)CNc2cccc(C(=O)NCc3ccccc3)c2)c1.
What is the InChIKey of N-benzyl-3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is ILGOAPPNXIBMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-17-11-12-18(2)22(13-17)27-23(28)16-25-21-10-6-9-20(14-21)24(29)26-15-19-7-4-3-5-8-19/h3-14,25H,15-16H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-benzyl-3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzamide?
N-benzyl-3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 387.48 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54842992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).