3-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,4-diazepane-2,5-dione

C16H20N2O2 — CID 64957081

IUPAC3-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,4-diazepane-2,5-dione
SMILESCC1NC(=O)CCN(c2cccc3c2CCCC3)C1=O
InChIInChI=1S/C16H20N2O2/c1-11-16(20)18(10-9-15(19)17-11)14-8-4-6-12-5-2-3-7-13(12)14/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,17,19)
InChIKeyMVSXLRBLZSIQHF-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.81
Rot. Bonds1

About 3-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,4-diazepane-2,5-dione

3-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,4-diazepane-2,5-dione (PubChem CID 64957081) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,4-diazepane-2,5-dione
PubChem CID64957081
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,4-diazepane-2,5-dione
SMILESCC1NC(=O)CCN(c2cccc3c2CCCC3)C1=O
InChIInChI=1S/C16H20N2O2/c1-11-16(20)18(10-9-15(19)17-11)14-8-4-6-12-5-2-3-7-13(12)14/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,17,19)
InChIKeyMVSXLRBLZSIQHF-UHFFFAOYSA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,4-diazepane-2,5-dione 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-[2-(methoxymethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64965372
2-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79924395
1-(3-bromoquinolin-8-yl)-3-methyl-1,4-diazepane-2,5-dione
CID 116785723
1-(2-chloro-4-iodophenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 107604189
1-(3-ethylphenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64959166
1-(4-bromo-2-chlorophenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64963380
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64961356
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64963684
8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 55105948
2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-4-amine
CID 54975723
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79923603
1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-2-imine
CID 54966703

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,4-diazepane-2,5-dione (CID 64957081) is 3-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,4-diazepane-2,5-dione is CC1NC(=O)CCN(c2cccc3c2CCCC3)C1=O.
What is the InChIKey of 3-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,4-diazepane-2,5-dione?
The InChIKey is MVSXLRBLZSIQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-16(20)18(10-9-15(19)17-11)14-8-4-6-12-5-2-3-7-13(12)14/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,17,19).
What are the key properties of 3-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,4-diazepane-2,5-dione?
3-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,4-diazepane-2,5-dione has a molecular weight of 272.35 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64957081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).