2-(1-benzoyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N,N-bis(2-methylpropyl)acetamide

C27H35N3O3 — CID 19243644

IUPAC2-(1-benzoyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CN1C(=O)C(C)CN(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C27H35N3O3/c1-19(2)15-28(16-20(3)4)25(31)18-30-24-14-10-9-13-23(24)29(17-21(5)26(30)32)27(33)22-11-7-6-8-12-22/h6-14,19-21H,15-18H2,1-5H3
InChIKeyZWDALJGTXPOUDC-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.46
Rot. Bonds7

About 2-(1-benzoyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N,N-bis(2-methylpropyl)acetamide

2-(1-benzoyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N,N-bis(2-methylpropyl)acetamide (PubChem CID 19243644) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is 2-(1-benzoyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(1-benzoyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N,N-bis(2-methylpropyl)acetamide
PubChem CID19243644
Molecular FormulaC27H35N3O3
Molecular Weight449.60 g/mol
Exact Mass449.27
IUPAC Name2-(1-benzoyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CN1C(=O)C(C)CN(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C27H35N3O3/c1-19(2)15-28(16-20(3)4)25(31)18-30-24-14-10-9-13-23(24)29(17-21(5)26(30)32)27(33)22-11-7-6-8-12-22/h6-14,19-21H,15-18H2,1-5H3
InChIKeyZWDALJGTXPOUDC-UHFFFAOYSA-N
XLogP4.46
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzoyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N,N-bis(2-methylpropyl)acetamide 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 2-(1-benzoyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-(1-benzoyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N,N-bis(2-methylpropyl)acetamide (CID 19243644) is 2-(1-benzoyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(1-benzoyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-(1-benzoyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N,N-bis(2-methylpropyl)acetamide is CC(C)CN(CC(C)C)C(=O)CN1C(=O)C(C)CN(C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 2-(1-benzoyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is ZWDALJGTXPOUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3/c1-19(2)15-28(16-20(3)4)25(31)18-30-24-14-10-9-13-23(24)29(17-21(5)26(30)32)27(33)22-11-7-6-8-12-22/h6-14,19-21H,15-18H2,1-5H3.
What are the key properties of 2-(1-benzoyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N,N-bis(2-methylpropyl)acetamide?
2-(1-benzoyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 449.60 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 19243644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).