2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide

C26H25N3O4 — CID 17321274

IUPAC2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)c1)c1ccccc1
InChIInChI=1S/C26H25N3O4/c30-24(18-8-2-1-3-9-18)28-20-11-6-10-19(16-20)25(31)29-23-14-5-4-13-22(23)26(32)27-17-21-12-7-15-33-21/h1-6,8-11,13-14,16,21H,7,12,15,17H2,(H,27,32)(H,28,30)(H,29,31)
InChIKeyXJDVHRVSJSDPCI-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.10
Rot. Bonds7

About 2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide

2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 17321274) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID17321274
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)c1)c1ccccc1
InChIInChI=1S/C26H25N3O4/c30-24(18-8-2-1-3-9-18)28-20-11-6-10-19(16-20)25(31)29-23-14-5-4-13-22(23)26(32)27-17-21-12-7-15-33-21/h1-6,8-11,13-14,16,21H,7,12,15,17H2,(H,27,32)(H,28,30)(H,29,31)
InChIKeyXJDVHRVSJSDPCI-UHFFFAOYSA-N
XLogP4.10
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(2-ethylbutanoylamino)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17321471
3-benzamido-4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17226585
2-[(3-methylbenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378718
N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide
CID 42579530
N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 42427228
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 26256690
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 29238764
2-[[3-(methylsulfamoyl)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 133231300
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46542044
N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 43013842

Frequently Asked Questions

What is the IUPAC name of 2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (CID 17321274) is 2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is O=C(Nc1cccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)c1)c1ccccc1.
What is the InChIKey of 2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is XJDVHRVSJSDPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c30-24(18-8-2-1-3-9-18)28-20-11-6-10-19(16-20)25(31)29-23-14-5-4-13-22(23)26(32)27-17-21-12-7-15-33-21/h1-6,8-11,13-14,16,21H,7,12,15,17H2,(H,27,32)(H,28,30)(H,29,31).
What are the key properties of 2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 443.50 g/mol, XLogP of 4.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 17321274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).