4-[1-methyl-2-oxo-3-(3-phenylpropanoylamino)-3H-1,4-benzodiazepin-5-yl]benzamide

C26H24N4O3 — CID 10297018

IUPAC4-[1-methyl-2-oxo-3-(3-phenylpropanoylamino)-3H-1,4-benzodiazepin-5-yl]benzamide
SMILESCN1C(=O)C(NC(=O)CCc2ccccc2)N=C(c2ccc(C(N)=O)cc2)c2ccccc21
InChIInChI=1S/C26H24N4O3/c1-30-21-10-6-5-9-20(21)23(18-12-14-19(15-13-18)24(27)32)29-25(26(30)33)28-22(31)16-11-17-7-3-2-4-8-17/h2-10,12-15,25H,11,16H2,1H3,(H2,27,32)(H,28,31)
InChIKeyOOVVSKBUOJQGAE-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.67
Rot. Bonds6

About 4-[1-methyl-2-oxo-3-(3-phenylpropanoylamino)-3H-1,4-benzodiazepin-5-yl]benzamide

4-[1-methyl-2-oxo-3-(3-phenylpropanoylamino)-3H-1,4-benzodiazepin-5-yl]benzamide (PubChem CID 10297018) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 4-[1-methyl-2-oxo-3-(3-phenylpropanoylamino)-3H-1,4-benzodiazepin-5-yl]benzamide.

Molecular Properties

Compound Name4-[1-methyl-2-oxo-3-(3-phenylpropanoylamino)-3H-1,4-benzodiazepin-5-yl]benzamide
PubChem CID10297018
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name4-[1-methyl-2-oxo-3-(3-phenylpropanoylamino)-3H-1,4-benzodiazepin-5-yl]benzamide
SMILESCN1C(=O)C(NC(=O)CCc2ccccc2)N=C(c2ccc(C(N)=O)cc2)c2ccccc21
InChIInChI=1S/C26H24N4O3/c1-30-21-10-6-5-9-20(21)23(18-12-14-19(15-13-18)24(27)32)29-25(26(30)33)28-22(31)16-11-17-7-3-2-4-8-17/h2-10,12-15,25H,11,16H2,1H3,(H2,27,32)(H,28,31)
InChIKeyOOVVSKBUOJQGAE-UHFFFAOYSA-N
XLogP2.67
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[1-methyl-2-oxo-3-(3-phenylpropanoylamino)-3H-1,4-benzodiazepin-5-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-2-oxo-3-(3-phenylpropanoylamino)-3H-1,4-benzodiazepin-5-yl]benzamide?
The IUPAC name of 4-[1-methyl-2-oxo-3-(3-phenylpropanoylamino)-3H-1,4-benzodiazepin-5-yl]benzamide (CID 10297018) is 4-[1-methyl-2-oxo-3-(3-phenylpropanoylamino)-3H-1,4-benzodiazepin-5-yl]benzamide.
What is the SMILES notation for 4-[1-methyl-2-oxo-3-(3-phenylpropanoylamino)-3H-1,4-benzodiazepin-5-yl]benzamide?
The canonical SMILES for 4-[1-methyl-2-oxo-3-(3-phenylpropanoylamino)-3H-1,4-benzodiazepin-5-yl]benzamide is CN1C(=O)C(NC(=O)CCc2ccccc2)N=C(c2ccc(C(N)=O)cc2)c2ccccc21.
What is the InChIKey of 4-[1-methyl-2-oxo-3-(3-phenylpropanoylamino)-3H-1,4-benzodiazepin-5-yl]benzamide?
The InChIKey is OOVVSKBUOJQGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-30-21-10-6-5-9-20(21)23(18-12-14-19(15-13-18)24(27)32)29-25(26(30)33)28-22(31)16-11-17-7-3-2-4-8-17/h2-10,12-15,25H,11,16H2,1H3,(H2,27,32)(H,28,31).
What are the key properties of 4-[1-methyl-2-oxo-3-(3-phenylpropanoylamino)-3H-1,4-benzodiazepin-5-yl]benzamide?
4-[1-methyl-2-oxo-3-(3-phenylpropanoylamino)-3H-1,4-benzodiazepin-5-yl]benzamide has a molecular weight of 440.50 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-2-oxo-3-(3-phenylpropanoylamino)-3H-1,4-benzodiazepin-5-yl]benzamide is sourced from PubChem (CID 10297018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).