1-benzoyl-5-[2-(4-methoxyphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one

C26H26N2O4 — CID 19243669

IUPAC1-benzoyl-5-[2-(4-methoxyphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCOc1ccc(OCCN2C(=O)C(C)CN(C(=O)c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C26H26N2O4/c1-19-18-28(26(30)20-8-4-3-5-9-20)24-11-7-6-10-23(24)27(25(19)29)16-17-32-22-14-12-21(31-2)13-15-22/h3-15,19H,16-18H2,1-2H3
InChIKeyINXDQUABUHIATO-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.40
Rot. Bonds6

About 1-benzoyl-5-[2-(4-methoxyphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one

1-benzoyl-5-[2-(4-methoxyphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one (PubChem CID 19243669) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 1-benzoyl-5-[2-(4-methoxyphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name1-benzoyl-5-[2-(4-methoxyphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
PubChem CID19243669
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name1-benzoyl-5-[2-(4-methoxyphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCOc1ccc(OCCN2C(=O)C(C)CN(C(=O)c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C26H26N2O4/c1-19-18-28(26(30)20-8-4-3-5-9-20)24-11-7-6-10-23(24)27(25(19)29)16-17-32-22-14-12-21(31-2)13-15-22/h3-15,19H,16-18H2,1-2H3
InChIKeyINXDQUABUHIATO-UHFFFAOYSA-N
XLogP4.40
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzoyl-5-[2-(4-methoxyphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one 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

1-benzoyl-3-methyl-5-[2-(4-propan-2-ylphenoxy)ethyl]-2,3-dihydro-1,5-benzodiazepin-4-one
CID 19243670
1-benzoyl-3-methyl-5-[4-(4-methylphenoxy)butyl]-2,3-dihydro-1,5-benzodiazepin-4-one
CID 19243566
1-benzoyl-3-methyl-5-[4-(4-propan-2-ylphenoxy)butyl]-2,3-dihydro-1,5-benzodiazepin-4-one
CID 19243584
1-benzoyl-5-[4-(2,3-dimethylphenoxy)butyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 19243575
5-[4-(4-methoxyphenoxy)butyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde
CID 19243562
1-benzoyl-5-[(2-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 19243610
1-benzoyl-5-[(2,4-dichlorophenyl)methyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 19243614
2-(1-benzoyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)-N,N-bis(2-methylpropyl)acetamide
CID 19243644
1-benzoyl-3-methyl-5-propan-2-yl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 19243606
(3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 124609676
5-[2-(4-butan-2-ylphenoxy)ethyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde
CID 19243513
4-(4-methoxybenzoyl)-1-methyl-3H-quinoxalin-2-one
CID 110669554

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-5-[2-(4-methoxyphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The IUPAC name of 1-benzoyl-5-[2-(4-methoxyphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one (CID 19243669) is 1-benzoyl-5-[2-(4-methoxyphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one.
What is the SMILES notation for 1-benzoyl-5-[2-(4-methoxyphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The canonical SMILES for 1-benzoyl-5-[2-(4-methoxyphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one is COc1ccc(OCCN2C(=O)C(C)CN(C(=O)c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 1-benzoyl-5-[2-(4-methoxyphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The InChIKey is INXDQUABUHIATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-19-18-28(26(30)20-8-4-3-5-9-20)24-11-7-6-10-23(24)27(25(19)29)16-17-32-22-14-12-21(31-2)13-15-22/h3-15,19H,16-18H2,1-2H3.
What are the key properties of 1-benzoyl-5-[2-(4-methoxyphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one?
1-benzoyl-5-[2-(4-methoxyphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one has a molecular weight of 430.50 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-5-[2-(4-methoxyphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one is sourced from PubChem (CID 19243669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).