7-(3,4-dimethoxyphenyl)-2-(2-methylpropyl)-5,6-dihydro-4H-diazepin-3-one

C17H24N2O3 — CID 134148810

IUPAC7-(3,4-dimethoxyphenyl)-2-(2-methylpropyl)-5,6-dihydro-4H-diazepin-3-one
SMILESCOc1ccc(C2=NN(CC(C)C)C(=O)CCC2)cc1OC
InChIInChI=1S/C17H24N2O3/c1-12(2)11-19-17(20)7-5-6-14(18-19)13-8-9-15(21-3)16(10-13)22-4/h8-10,12H,5-7,11H2,1-4H3
InChIKeyLKGLKIWQSDVLIX-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.08
Rot. Bonds5

About 7-(3,4-dimethoxyphenyl)-2-(2-methylpropyl)-5,6-dihydro-4H-diazepin-3-one

7-(3,4-dimethoxyphenyl)-2-(2-methylpropyl)-5,6-dihydro-4H-diazepin-3-one (PubChem CID 134148810) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-2-(2-methylpropyl)-5,6-dihydro-4H-diazepin-3-one.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-2-(2-methylpropyl)-5,6-dihydro-4H-diazepin-3-one
PubChem CID134148810
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name7-(3,4-dimethoxyphenyl)-2-(2-methylpropyl)-5,6-dihydro-4H-diazepin-3-one
SMILESCOc1ccc(C2=NN(CC(C)C)C(=O)CCC2)cc1OC
InChIInChI=1S/C17H24N2O3/c1-12(2)11-19-17(20)7-5-6-14(18-19)13-8-9-15(21-3)16(10-13)22-4/h8-10,12H,5-7,11H2,1-4H3
InChIKeyLKGLKIWQSDVLIX-UHFFFAOYSA-N
XLogP3.08
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-2-(2-methylpropyl)-5,6-dihydro-4H-diazepin-3-one?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-2-(2-methylpropyl)-5,6-dihydro-4H-diazepin-3-one (CID 134148810) is 7-(3,4-dimethoxyphenyl)-2-(2-methylpropyl)-5,6-dihydro-4H-diazepin-3-one.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-2-(2-methylpropyl)-5,6-dihydro-4H-diazepin-3-one?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-2-(2-methylpropyl)-5,6-dihydro-4H-diazepin-3-one is COc1ccc(C2=NN(CC(C)C)C(=O)CCC2)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-2-(2-methylpropyl)-5,6-dihydro-4H-diazepin-3-one?
The InChIKey is LKGLKIWQSDVLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)11-19-17(20)7-5-6-14(18-19)13-8-9-15(21-3)16(10-13)22-4/h8-10,12H,5-7,11H2,1-4H3.
What are the key properties of 7-(3,4-dimethoxyphenyl)-2-(2-methylpropyl)-5,6-dihydro-4H-diazepin-3-one?
7-(3,4-dimethoxyphenyl)-2-(2-methylpropyl)-5,6-dihydro-4H-diazepin-3-one has a molecular weight of 304.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-2-(2-methylpropyl)-5,6-dihydro-4H-diazepin-3-one is sourced from PubChem (CID 134148810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).