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

C26H27N3O3 — CID 54824668

IUPACN-benzyl-N-methyl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
SMILESC=CCOc1ccccc1NCC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C26H27N3O3/c1-3-16-32-24-15-8-7-14-23(24)27-18-25(30)28-22-13-9-12-21(17-22)26(31)29(2)19-20-10-5-4-6-11-20/h3-15,17,27H,1,16,18-19H2,2H3,(H,28,30)
InChIKeyCYNJJXACSOQMRW-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.57
Rot. Bonds10

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

N-benzyl-N-methyl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide (PubChem CID 54824668) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
PubChem CID54824668
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-benzyl-N-methyl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
SMILESC=CCOc1ccccc1NCC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C26H27N3O3/c1-3-16-32-24-15-8-7-14-23(24)27-18-25(30)28-22-13-9-12-21(17-22)26(31)29(2)19-20-10-5-4-6-11-20/h3-15,17,27H,1,16,18-19H2,2H3,(H,28,30)
InChIKeyCYNJJXACSOQMRW-UHFFFAOYSA-N
XLogP4.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-methyl-3-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54828122
3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54824667
N-benzyl-3-[[2-(2,3-dichloroanilino)acetyl]amino]-N-methylbenzamide
CID 54816093
3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N-propylbenzamide
CID 54824294
N-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824529
N-benzyl-3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54813928
N-(2-methoxyethyl)-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824260
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-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide
CID 54813861
N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide
CID 54813258

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-N-methyl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide (CID 54824668) is N-benzyl-N-methyl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-N-methyl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-N-methyl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide is C=CCOc1ccccc1NCC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-N-methyl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide?
The InChIKey is CYNJJXACSOQMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-3-16-32-24-15-8-7-14-23(24)27-18-25(30)28-22-13-9-12-21(17-22)26(31)29(2)19-20-10-5-4-6-11-20/h3-15,17,27H,1,16,18-19H2,2H3,(H,28,30).
What are the key properties of N-benzyl-N-methyl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide?
N-benzyl-N-methyl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide has a molecular weight of 429.52 g/mol, XLogP of 4.57, 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-prop-2-enoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54824668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).