1-(2-methoxyethyl)-7-methyl-3-propyl-1,4-diazepane-2,5-dione

C12H22N2O3 — CID 64882619

IUPAC1-(2-methoxyethyl)-7-methyl-3-propyl-1,4-diazepane-2,5-dione
SMILESCCCC1NC(=O)CC(C)N(CCOC)C1=O
InChIInChI=1S/C12H22N2O3/c1-4-5-10-12(16)14(6-7-17-3)9(2)8-11(15)13-10/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyOECCHMMCOJWTCI-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds5

About 1-(2-methoxyethyl)-7-methyl-3-propyl-1,4-diazepane-2,5-dione

1-(2-methoxyethyl)-7-methyl-3-propyl-1,4-diazepane-2,5-dione (PubChem CID 64882619) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-7-methyl-3-propyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-7-methyl-3-propyl-1,4-diazepane-2,5-dione
PubChem CID64882619
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(2-methoxyethyl)-7-methyl-3-propyl-1,4-diazepane-2,5-dione
SMILESCCCC1NC(=O)CC(C)N(CCOC)C1=O
InChIInChI=1S/C12H22N2O3/c1-4-5-10-12(16)14(6-7-17-3)9(2)8-11(15)13-10/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyOECCHMMCOJWTCI-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-methoxyethoxy)propyl]-7-methyl-3-propyl-1,4-diazepane-2,5-dione
CID 103414916
7-methyl-1,3-dipropyl-1,4-diazepane-2,5-dione
CID 64882235
1-hexyl-7-methyl-3-propyl-1,4-diazepane-2,5-dione
CID 64883007
6-cyclopropyl-1-(2-methoxyethyl)-3-propylpiperazine-2,5-dione
CID 64873961
7-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-propyl-1,4-diazepane-2,5-dione
CID 64882623
1-(3-methoxypropyl)-3-propylpiperazine-2,5-dione
CID 64879793
3-ethyl-7-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazepane-2,5-dione
CID 64882463
7-methyl-1-[(2-methylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione
CID 64882430
1-[2-(2-methoxyethoxy)ethyl]-3-propylpiperazine-2,5-dione
CID 64880934
3-butan-2-yl-7-methyl-1-(2-propoxyethyl)-1,4-diazepane-2,5-dione
CID 106459146
1-(2-methoxyethyl)-3,3,7-trimethyl-1,4-diazepane-2,5-dione
CID 64883200
2-cyclopentyl-3-(4-methoxybutyl)-5-propylimidazolidin-4-one
CID 83246103

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-7-methyl-3-propyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-(2-methoxyethyl)-7-methyl-3-propyl-1,4-diazepane-2,5-dione (CID 64882619) is 1-(2-methoxyethyl)-7-methyl-3-propyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-7-methyl-3-propyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-(2-methoxyethyl)-7-methyl-3-propyl-1,4-diazepane-2,5-dione is CCCC1NC(=O)CC(C)N(CCOC)C1=O.
What is the InChIKey of 1-(2-methoxyethyl)-7-methyl-3-propyl-1,4-diazepane-2,5-dione?
The InChIKey is OECCHMMCOJWTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-5-10-12(16)14(6-7-17-3)9(2)8-11(15)13-10/h9-10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of 1-(2-methoxyethyl)-7-methyl-3-propyl-1,4-diazepane-2,5-dione?
1-(2-methoxyethyl)-7-methyl-3-propyl-1,4-diazepane-2,5-dione has a molecular weight of 242.32 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-7-methyl-3-propyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64882619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).