3-ethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione

C14H26N2O2 — CID 82935951

IUPAC3-ethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione
SMILESCCC(CC)CN1C(=O)C(CC)NC(=O)CC1C
InChIInChI=1S/C14H26N2O2/c1-5-11(6-2)9-16-10(4)8-13(17)15-12(7-3)14(16)18/h10-12H,5-9H2,1-4H3,(H,15,17)
InChIKeyVVBGQTNIVLTVDU-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.94
Rot. Bonds5

About 3-ethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione

3-ethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione (PubChem CID 82935951) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-ethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione
PubChem CID82935951
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-ethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione
SMILESCCC(CC)CN1C(=O)C(CC)NC(=O)CC1C
InChIInChI=1S/C14H26N2O2/c1-5-11(6-2)9-16-10(4)8-13(17)15-12(7-3)14(16)18/h10-12H,5-9H2,1-4H3,(H,15,17)
InChIKeyVVBGQTNIVLTVDU-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione with MolForge

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Related Compounds

3-ethyl-7-methyl-1-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64883241
6-tert-butyl-3-ethyl-1-(2-ethylbutyl)piperazine-2,5-dione
CID 82934453
1-[(2,6-difluorophenyl)methyl]-3-ethyl-7-methyl-1,4-diazepane-2,5-dione
CID 114934714
7-methyl-1,3-dipropyl-1,4-diazepane-2,5-dione
CID 64882235
3-ethyl-7-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazepane-2,5-dione
CID 64882463
3-ethyl-7-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]-1,4-diazepane-2,5-dione
CID 82899910
3,3-diethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione
CID 82934853
3-ethyl-7-methyl-1-(pyridin-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64884616
1-[(2,3-dichlorophenyl)methyl]-3-ethyl-7-methyl-1,4-diazepane-2,5-dione
CID 107310601
1-hexyl-7-methyl-3-propyl-1,4-diazepane-2,5-dione
CID 64883007
1-(2-methoxyethyl)-7-methyl-3-propyl-1,4-diazepane-2,5-dione
CID 64882619
1-(cyclopentylmethyl)-7-methyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64883554

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione?
The IUPAC name of 3-ethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione (CID 82935951) is 3-ethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-ethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione is CCC(CC)CN1C(=O)C(CC)NC(=O)CC1C.
What is the InChIKey of 3-ethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione?
The InChIKey is VVBGQTNIVLTVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-11(6-2)9-16-10(4)8-13(17)15-12(7-3)14(16)18/h10-12H,5-9H2,1-4H3,(H,15,17).
What are the key properties of 3-ethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione?
3-ethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione has a molecular weight of 254.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 82935951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).