2-[[2-(benzhydrylamino)acetyl]amino]-N-(1,3-benzodioxol-5-yl)benzamide

C29H25N3O4 — CID 2516875

IUPAC2-[[2-(benzhydrylamino)acetyl]amino]-N-(1,3-benzodioxol-5-yl)benzamide
SMILESO=C(CNC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C29H25N3O4/c33-27(18-30-28(20-9-3-1-4-10-20)21-11-5-2-6-12-21)32-24-14-8-7-13-23(24)29(34)31-22-15-16-25-26(17-22)36-19-35-25/h1-17,28,30H,18-19H2,(H,31,34)(H,32,33)
InChIKeyYICUEIGENKEXBJ-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.99
Rot. Bonds8

About 2-[[2-(benzhydrylamino)acetyl]amino]-N-(1,3-benzodioxol-5-yl)benzamide

2-[[2-(benzhydrylamino)acetyl]amino]-N-(1,3-benzodioxol-5-yl)benzamide (PubChem CID 2516875) has the molecular formula C29H25N3O4 and a molecular weight of 479.54 g/mol. Its IUPAC name is 2-[[2-(benzhydrylamino)acetyl]amino]-N-(1,3-benzodioxol-5-yl)benzamide.

Molecular Properties

Compound Name2-[[2-(benzhydrylamino)acetyl]amino]-N-(1,3-benzodioxol-5-yl)benzamide
PubChem CID2516875
Molecular FormulaC29H25N3O4
Molecular Weight479.54 g/mol
Exact Mass479.18
IUPAC Name2-[[2-(benzhydrylamino)acetyl]amino]-N-(1,3-benzodioxol-5-yl)benzamide
SMILESO=C(CNC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C29H25N3O4/c33-27(18-30-28(20-9-3-1-4-10-20)21-11-5-2-6-12-21)32-24-14-8-7-13-23(24)29(34)31-22-15-16-25-26(17-22)36-19-35-25/h1-17,28,30H,18-19H2,(H,31,34)(H,32,33)
InChIKeyYICUEIGENKEXBJ-UHFFFAOYSA-N
XLogP4.99
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide
CID 2559897
N-(1,3-benzodioxol-5-yl)-2-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]benzamide
CID 4785291
N-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 17435797
N-(2-acetylphenyl)-2-(benzhydrylamino)acetamide
CID 7971269
N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide
CID 30887113
N-(1,3-benzodioxol-5-yl)-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzamide
CID 4792947
N-(1,3-benzodioxol-5-yl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide
CID 8719944
N-(1,3-benzodioxol-5-yl)-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 4793799
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-2-[[2-[[(1R)-1-phenylethyl]amino]acetyl]amino]benzamide
CID 92656297
N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzamide
CID 16551505
N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide
CID 1154201
N-(1,3-benzodioxol-5-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide
CID 17429171

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzhydrylamino)acetyl]amino]-N-(1,3-benzodioxol-5-yl)benzamide?
The IUPAC name of 2-[[2-(benzhydrylamino)acetyl]amino]-N-(1,3-benzodioxol-5-yl)benzamide (CID 2516875) is 2-[[2-(benzhydrylamino)acetyl]amino]-N-(1,3-benzodioxol-5-yl)benzamide.
What is the SMILES notation for 2-[[2-(benzhydrylamino)acetyl]amino]-N-(1,3-benzodioxol-5-yl)benzamide?
The canonical SMILES for 2-[[2-(benzhydrylamino)acetyl]amino]-N-(1,3-benzodioxol-5-yl)benzamide is O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[[2-(benzhydrylamino)acetyl]amino]-N-(1,3-benzodioxol-5-yl)benzamide?
The InChIKey is YICUEIGENKEXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O4/c33-27(18-30-28(20-9-3-1-4-10-20)21-11-5-2-6-12-21)32-24-14-8-7-13-23(24)29(34)31-22-15-16-25-26(17-22)36-19-35-25/h1-17,28,30H,18-19H2,(H,31,34)(H,32,33).
What are the key properties of 2-[[2-(benzhydrylamino)acetyl]amino]-N-(1,3-benzodioxol-5-yl)benzamide?
2-[[2-(benzhydrylamino)acetyl]amino]-N-(1,3-benzodioxol-5-yl)benzamide has a molecular weight of 479.54 g/mol, XLogP of 4.99, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzhydrylamino)acetyl]amino]-N-(1,3-benzodioxol-5-yl)benzamide is sourced from PubChem (CID 2516875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).