N-benzyl-N-methyl-3-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide

C30H29N3O3 — CID 54828122

IUPACN-benzyl-N-methyl-3-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CNc2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C30H29N3O3/c1-33(21-23-11-4-2-5-12-23)30(35)25-15-10-16-26(19-25)32-29(34)20-31-27-17-8-9-18-28(27)36-22-24-13-6-3-7-14-24/h2-19,31H,20-22H2,1H3,(H,32,34)
InChIKeyDXQGJJGDGBFFHP-UHFFFAOYSA-N
MW479.58 g/mol
LogP5.59
Rot. Bonds10

About N-benzyl-N-methyl-3-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide

N-benzyl-N-methyl-3-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide (PubChem CID 54828122) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide
PubChem CID54828122
Molecular FormulaC30H29N3O3
Molecular Weight479.58 g/mol
Exact Mass479.22
IUPAC NameN-benzyl-N-methyl-3-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CNc2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C30H29N3O3/c1-33(21-23-11-4-2-5-12-23)30(35)25-15-10-16-26(19-25)32-29(34)20-31-27-17-8-9-18-28(27)36-22-24-13-6-3-7-14-24/h2-19,31H,20-22H2,1H3,(H,32,34)
InChIKeyDXQGJJGDGBFFHP-UHFFFAOYSA-N
XLogP5.59
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824668
N-benzyl-3-[[2-(2,3-dichloroanilino)acetyl]amino]-N-methylbenzamide
CID 54816093
3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54827989
N-benzyl-3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54813928
N-benzyl-N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54841930
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide
CID 54831451
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54842144
N-(3-methoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54827854
N-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide
CID 54813861
N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide
CID 54813258
3-[[2-(2-ethoxyanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29458921
3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54841952

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-N-methyl-3-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide (CID 54828122) is N-benzyl-N-methyl-3-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-N-methyl-3-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-N-methyl-3-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide is CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CNc2ccccc2OCc2ccccc2)c1.
What is the InChIKey of N-benzyl-N-methyl-3-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide?
The InChIKey is DXQGJJGDGBFFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O3/c1-33(21-23-11-4-2-5-12-23)30(35)25-15-10-16-26(19-25)32-29(34)20-31-27-17-8-9-18-28(27)36-22-24-13-6-3-7-14-24/h2-19,31H,20-22H2,1H3,(H,32,34).
What are the key properties of N-benzyl-N-methyl-3-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide?
N-benzyl-N-methyl-3-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide has a molecular weight of 479.58 g/mol, XLogP of 5.59, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54828122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).