1-ethyl-8-methyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one

C19H20N2O — CID 619356

IUPAC1-ethyl-8-methyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one
SMILESCCN1C(=O)CC/N=C(/c2ccccc2)c2cc(C)ccc21
InChIInChI=1S/C19H20N2O/c1-3-21-17-10-9-14(2)13-16(17)19(20-12-11-18(21)22)15-7-5-4-6-8-15/h4-10,13H,3,11-12H2,1-2H3/b20-19-
InChIKeyPJJCITGRURDNGV-VXPUYCOJSA-N
MW292.38 g/mol
LogP3.59
Rot. Bonds2

About 1-ethyl-8-methyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one

1-ethyl-8-methyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one (PubChem CID 619356) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-ethyl-8-methyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one.

Molecular Properties

Compound Name1-ethyl-8-methyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one
PubChem CID619356
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1-ethyl-8-methyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one
SMILESCCN1C(=O)CC/N=C(/c2ccccc2)c2cc(C)ccc21
InChIInChI=1S/C19H20N2O/c1-3-21-17-10-9-14(2)13-16(17)19(20-12-11-18(21)22)15-7-5-4-6-8-15/h4-10,13H,3,11-12H2,1-2H3/b20-19-
InChIKeyPJJCITGRURDNGV-VXPUYCOJSA-N
XLogP3.59
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-6-phenyl-1-propyl-3,4-dihydro-1,5-benzodiazocin-2-one
CID 620747
7-chloro-1-ethyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 623112
azane;1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one;thiohydroxylamine
CID 142255276
7-chloro-1-(2-ethoxyethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 23018
1-[(4-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 3782732
ethyl 8-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 71207698
1-(ethoxymethyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 154094936
7-chloro-5-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one
CID 76974323
ethyl 3-[(3S)-7-methyl-2-oxo-3-pentan-3-yl-5-phenyl-3H-1,4-benzodiazepin-1-yl]propanoate
CID 169180853
6,7-dimethyl-1-phenyl-3,4-dihydroisoquinoline
CID 156695134
3-amino-1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 142254857
7-chloro-1-(cyclobutylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 154138660

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-methyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one?
The IUPAC name of 1-ethyl-8-methyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one (CID 619356) is 1-ethyl-8-methyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one.
What is the SMILES notation for 1-ethyl-8-methyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one?
The canonical SMILES for 1-ethyl-8-methyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one is CCN1C(=O)CC/N=C(/c2ccccc2)c2cc(C)ccc21.
What is the InChIKey of 1-ethyl-8-methyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one?
The InChIKey is PJJCITGRURDNGV-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2O/c1-3-21-17-10-9-14(2)13-16(17)19(20-12-11-18(21)22)15-7-5-4-6-8-15/h4-10,13H,3,11-12H2,1-2H3/b20-19-.
What are the key properties of 1-ethyl-8-methyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one?
1-ethyl-8-methyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one has a molecular weight of 292.38 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-methyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one is sourced from PubChem (CID 619356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).