1-[3-(2-methoxyethoxy)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one

C15H22N2O3 — CID 103412197

IUPAC1-[3-(2-methoxyethoxy)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
SMILESCOCCOCCCN1C(=O)CNCc2ccccc21
InChIInChI=1S/C15H22N2O3/c1-19-9-10-20-8-4-7-17-14-6-3-2-5-13(14)11-16-12-15(17)18/h2-3,5-6,16H,4,7-12H2,1H3
InChIKeyAFJLBVJAGGXDPL-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.18
Rot. Bonds7

About 1-[3-(2-methoxyethoxy)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one

1-[3-(2-methoxyethoxy)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one (PubChem CID 103412197) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
PubChem CID103412197
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[3-(2-methoxyethoxy)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
SMILESCOCCOCCCN1C(=O)CNCc2ccccc21
InChIInChI=1S/C15H22N2O3/c1-19-9-10-20-8-4-7-17-14-6-3-2-5-13(14)11-16-12-15(17)18/h2-3,5-6,16H,4,7-12H2,1H3
InChIKeyAFJLBVJAGGXDPL-UHFFFAOYSA-N
XLogP1.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,4-dihydroquinoxalin-2-one
CID 104566166
N-(2-methoxyethyl)-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide
CID 65361308
1-(2-methoxyethyl)-3H-indol-2-one
CID 58486241
1-[2-(1-methylpiperidin-2-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 107913495
1-[3-(oxolan-2-yl)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 65362289
1-[3-(2-methoxyethoxy)propyl]piperazin-2-one
CID 103412181
1-[2-(1-methylpyrazol-4-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 103014159
N,N-diethyl-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide
CID 65362341
1-(3-methoxypropyl)-4,4-dimethyl-3H-quinolin-2-one
CID 68791500
1-oxido-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 89406142
4-chloro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione
CID 103410240
1-[2-(2-methoxyethoxy)ethyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79907092

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one (CID 103412197) is 1-[3-(2-methoxyethoxy)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one is COCCOCCCN1C(=O)CNCc2ccccc21.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The InChIKey is AFJLBVJAGGXDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-9-10-20-8-4-7-17-14-6-3-2-5-13(14)11-16-12-15(17)18/h2-3,5-6,16H,4,7-12H2,1H3.
What are the key properties of 1-[3-(2-methoxyethoxy)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
1-[3-(2-methoxyethoxy)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one has a molecular weight of 278.35 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 103412197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).