3-methyl-1-(2-propoxyethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one

C15H22N2O2 — CID 106456411

IUPAC3-methyl-1-(2-propoxyethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
SMILESCCCOCCN1C(=O)C(C)NCc2ccccc21
InChIInChI=1S/C15H22N2O2/c1-3-9-19-10-8-17-14-7-5-4-6-13(14)11-16-12(2)15(17)18/h4-7,12,16H,3,8-11H2,1-2H3
InChIKeyHEFCZLUKVVNSQV-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.94
Rot. Bonds5

About 3-methyl-1-(2-propoxyethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one

3-methyl-1-(2-propoxyethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one (PubChem CID 106456411) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-methyl-1-(2-propoxyethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-methyl-1-(2-propoxyethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
PubChem CID106456411
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-methyl-1-(2-propoxyethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
SMILESCCCOCCN1C(=O)C(C)NCc2ccccc21
InChIInChI=1S/C15H22N2O2/c1-3-9-19-10-8-17-14-7-5-4-6-13(14)11-16-12(2)15(17)18/h4-7,12,16H,3,8-11H2,1-2H3
InChIKeyHEFCZLUKVVNSQV-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-methyl-1-(2-propoxyethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-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

3-methyl-1-(2-phenylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 65364025
3-methyl-1-(2-pyrazol-1-ylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 65365420
1,3-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 59848827
1-[(4-fluorophenyl)methyl]-3-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 65365317
3-ethyl-1-(2-propoxyethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 106459188
1-[(3-bromothiophen-2-yl)methyl]-3-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 65364121
1-(2-propoxyethyl)indole-2,3-dione
CID 106453634
1-[2-(2-methoxyethoxy)ethyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79907092
(3R)-1-butyl-3-methyl-3,4-dihydroquinoxalin-2-one
CID 94764092
1-(2-propoxyethyl)-2,3-dihydro-1H-isoindole
CID 106458136
1-(2-propoxyethyl)-2,3-dihydroindole-2-carboxylic acid
CID 106454785
3-methyl-1-(3-phenylpropyl)piperazine-2,6-dione
CID 66075288

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-propoxyethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 3-methyl-1-(2-propoxyethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one (CID 106456411) is 3-methyl-1-(2-propoxyethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 3-methyl-1-(2-propoxyethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-methyl-1-(2-propoxyethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one is CCCOCCN1C(=O)C(C)NCc2ccccc21.
What is the InChIKey of 3-methyl-1-(2-propoxyethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The InChIKey is HEFCZLUKVVNSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-9-19-10-8-17-14-7-5-4-6-13(14)11-16-12(2)15(17)18/h4-7,12,16H,3,8-11H2,1-2H3.
What are the key properties of 3-methyl-1-(2-propoxyethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
3-methyl-1-(2-propoxyethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-propoxyethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 106456411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).