7-methyl-1-[(5-methyloxolan-2-yl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione

C15H26N2O3 — CID 103142016

IUPAC7-methyl-1-[(5-methyloxolan-2-yl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione
SMILESCC1CCC(CN2C(=O)C(C(C)C)NC(=O)CC2C)O1
InChIInChI=1S/C15H26N2O3/c1-9(2)14-15(19)17(10(3)7-13(18)16-14)8-12-6-5-11(4)20-12/h9-12,14H,5-8H2,1-4H3,(H,16,18)
InChIKeyGYACGGVJMAADEZ-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.32
Rot. Bonds3

About 7-methyl-1-[(5-methyloxolan-2-yl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione

7-methyl-1-[(5-methyloxolan-2-yl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione (PubChem CID 103142016) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 7-methyl-1-[(5-methyloxolan-2-yl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name7-methyl-1-[(5-methyloxolan-2-yl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione
PubChem CID103142016
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name7-methyl-1-[(5-methyloxolan-2-yl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione
SMILESCC1CCC(CN2C(=O)C(C(C)C)NC(=O)CC2C)O1
InChIInChI=1S/C15H26N2O3/c1-9(2)14-15(19)17(10(3)7-13(18)16-14)8-12-6-5-11(4)20-12/h9-12,14H,5-8H2,1-4H3,(H,16,18)
InChIKeyGYACGGVJMAADEZ-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methyl-1-[(5-methyloxolan-2-yl)methyl]-3-propan-2-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

3-cyclopropyl-7-methyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane-2,5-dione
CID 103142051
6-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 103141773
3-butan-2-yl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
CID 103142001
3-ethyl-3,7-dimethyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane-2,5-dione
CID 103142054
9-methyl-10-[(5-methyloxolan-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 103142038
3-butan-2-yl-6-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
CID 103141854
1-[(5-bromothiophen-2-yl)methyl]-7-methyl-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64882932
3-ethyl-1-[(5-methyloxolan-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 103141807
6-butan-2-yl-3-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
CID 103141809
1-[(5-methyloxolan-2-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 103142004
5,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]imidazolidine-2,4-dione
CID 103140373
3-butan-2-yl-7-methyl-1-(1,3-thiazol-5-ylmethyl)-1,4-diazepane-2,5-dione
CID 115979744

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[(5-methyloxolan-2-yl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione?
The IUPAC name of 7-methyl-1-[(5-methyloxolan-2-yl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione (CID 103142016) is 7-methyl-1-[(5-methyloxolan-2-yl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 7-methyl-1-[(5-methyloxolan-2-yl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione?
The canonical SMILES for 7-methyl-1-[(5-methyloxolan-2-yl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione is CC1CCC(CN2C(=O)C(C(C)C)NC(=O)CC2C)O1.
What is the InChIKey of 7-methyl-1-[(5-methyloxolan-2-yl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione?
The InChIKey is GYACGGVJMAADEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-9(2)14-15(19)17(10(3)7-13(18)16-14)8-12-6-5-11(4)20-12/h9-12,14H,5-8H2,1-4H3,(H,16,18).
What are the key properties of 7-methyl-1-[(5-methyloxolan-2-yl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione?
7-methyl-1-[(5-methyloxolan-2-yl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[(5-methyloxolan-2-yl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 103142016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).