N-benzyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide

C26H27N3O3 — CID 54843216

IUPACN-benzyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESC=C(C)COc1ccccc1NC(=O)CNc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C26H27N3O3/c1-19(2)18-32-24-14-7-6-13-23(24)29-25(30)17-27-22-12-8-11-21(15-22)26(31)28-16-20-9-4-3-5-10-20/h3-15,27H,1,16-18H2,2H3,(H,28,31)(H,29,30)
InChIKeyOZVUVFOHODYUOU-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.62
Rot. Bonds10

About N-benzyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide

N-benzyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54843216) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-benzyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54843216
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-benzyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESC=C(C)COc1ccccc1NC(=O)CNc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C26H27N3O3/c1-19(2)18-32-24-14-7-6-13-23(24)29-25(30)17-27-22-12-8-11-21(15-22)26(31)28-16-20-9-4-3-5-10-20/h3-15,27H,1,16-18H2,2H3,(H,28,31)(H,29,30)
InChIKeyOZVUVFOHODYUOU-UHFFFAOYSA-N
XLogP4.62
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54835975
N-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide
CID 54826701
2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide
CID 54825790
N-benzyl-3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 54842992
3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54825993
N-methyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54826156
3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837835
N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide
CID 54827557
N-benzyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54844304
methyl 3-[[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 47013640
N-benzyl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide
CID 54842929
N-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54838041

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-benzyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide (CID 54843216) is N-benzyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-benzyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-benzyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide is C=C(C)COc1ccccc1NC(=O)CNc1cccc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is OZVUVFOHODYUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-19(2)18-32-24-14-7-6-13-23(24)29-25(30)17-27-22-12-8-11-21(15-22)26(31)28-16-20-9-4-3-5-10-20/h3-15,27H,1,16-18H2,2H3,(H,28,31)(H,29,30).
What are the key properties of N-benzyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide?
N-benzyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 429.52 g/mol, XLogP of 4.62, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54843216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).