3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide

C25H26N4O3 — CID 54831451

IUPAC3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2cccc(C(=O)N(C)Cc3ccccc3)c2)c1
InChIInChI=1S/C25H26N4O3/c1-18(30)27-23-13-7-11-21(15-23)26-16-24(31)28-22-12-6-10-20(14-22)25(32)29(2)17-19-8-4-3-5-9-19/h3-15,26H,16-17H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyDMJWBXKTWGEYTC-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.97
Rot. Bonds8

About 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide

3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide (PubChem CID 54831451) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide
PubChem CID54831451
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2cccc(C(=O)N(C)Cc3ccccc3)c2)c1
InChIInChI=1S/C25H26N4O3/c1-18(30)27-23-13-7-11-21(15-23)26-16-24(31)28-22-12-6-10-20(14-22)25(32)29(2)17-19-8-4-3-5-9-19/h3-15,26H,16-17H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyDMJWBXKTWGEYTC-UHFFFAOYSA-N
XLogP3.97
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54841952
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54842144
N-benzyl-3-[[2-[3-(hexanoylamino)anilino]acetyl]amino]-N-methylbenzamide
CID 54841033
N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide
CID 54813258
N-benzyl-3-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54842189
N-benzyl-3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-methylbenzamide
CID 54816242
3-[[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833586
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
N-benzyl-N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54841930
N-benzyl-N-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841183
N-benzyl-3-[[2-(2,3-dichloroanilino)acetyl]amino]-N-methylbenzamide
CID 54816093

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide?
The IUPAC name of 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide (CID 54831451) is 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide.
What is the SMILES notation for 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide?
The canonical SMILES for 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide is CC(=O)Nc1cccc(NCC(=O)Nc2cccc(C(=O)N(C)Cc3ccccc3)c2)c1.
What is the InChIKey of 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide?
The InChIKey is DMJWBXKTWGEYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-18(30)27-23-13-7-11-21(15-23)26-16-24(31)28-22-12-6-10-20(14-22)25(32)29(2)17-19-8-4-3-5-9-19/h3-15,26H,16-17H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide?
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide has a molecular weight of 430.51 g/mol, XLogP of 3.97, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide is sourced from PubChem (CID 54831451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).