N-benzyl-N-methyl-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide

C26H29N3O3 — CID 54841824

IUPACN-benzyl-N-methyl-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide
SMILESCC(C)Oc1ccc(NC(=O)CNc2cccc(C(=O)N(C)Cc3ccccc3)c2)cc1
InChIInChI=1S/C26H29N3O3/c1-19(2)32-24-14-12-22(13-15-24)28-25(30)17-27-23-11-7-10-21(16-23)26(31)29(3)18-20-8-5-4-6-9-20/h4-16,19,27H,17-18H2,1-3H3,(H,28,30)
InChIKeyABMRPYSXQLBLMW-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.80
Rot. Bonds9

About N-benzyl-N-methyl-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide

N-benzyl-N-methyl-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide (PubChem CID 54841824) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide
PubChem CID54841824
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-benzyl-N-methyl-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide
SMILESCC(C)Oc1ccc(NC(=O)CNc2cccc(C(=O)N(C)Cc3ccccc3)c2)cc1
InChIInChI=1S/C26H29N3O3/c1-19(2)32-24-14-12-22(13-15-24)28-25(30)17-27-23-11-7-10-21(16-23)26(31)29(3)18-20-8-5-4-6-9-20/h4-16,19,27H,17-18H2,1-3H3,(H,28,30)
InChIKeyABMRPYSXQLBLMW-UHFFFAOYSA-N
XLogP4.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54841952
N-benzyl-3-[[2-(4-butoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54842111
methyl 4-[[2-[3-[benzyl(methyl)carbamoyl]anilino]acetyl]amino]benzoate
CID 54842086
3-[[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833586
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54842144
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide
CID 54831451
N-benzyl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54842043
N-benzyl-3-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822226
N-benzyl-N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54841930
N-benzyl-3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-methylbenzamide
CID 54816242
N-benzyl-3-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54842189
2-(3-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829870

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide?
The IUPAC name of N-benzyl-N-methyl-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide (CID 54841824) is N-benzyl-N-methyl-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide.
What is the SMILES notation for N-benzyl-N-methyl-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide?
The canonical SMILES for N-benzyl-N-methyl-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide is CC(C)Oc1ccc(NC(=O)CNc2cccc(C(=O)N(C)Cc3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-N-methyl-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide?
The InChIKey is ABMRPYSXQLBLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-19(2)32-24-14-12-22(13-15-24)28-25(30)17-27-23-11-7-10-21(16-23)26(31)29(3)18-20-8-5-4-6-9-20/h4-16,19,27H,17-18H2,1-3H3,(H,28,30).
What are the key properties of N-benzyl-N-methyl-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide?
N-benzyl-N-methyl-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide has a molecular weight of 431.54 g/mol, XLogP of 4.80, 9 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-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide is sourced from PubChem (CID 54841824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).