3,3-diethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane-2,5-dione

C14H26N2O3 — CID 64882509

IUPAC3,3-diethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane-2,5-dione
SMILESCCC1(CC)NC(=O)CCN(CCOC(C)C)C1=O
InChIInChI=1S/C14H26N2O3/c1-5-14(6-2)13(18)16(8-7-12(17)15-14)9-10-19-11(3)4/h11H,5-10H2,1-4H3,(H,15,17)
InChIKeyDGSJPSGVQGGFPM-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.32
Rot. Bonds6

About 3,3-diethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane-2,5-dione

3,3-diethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane-2,5-dione (PubChem CID 64882509) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3,3-diethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane-2,5-dione
PubChem CID64882509
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3,3-diethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane-2,5-dione
SMILESCCC1(CC)NC(=O)CCN(CCOC(C)C)C1=O
InChIInChI=1S/C14H26N2O3/c1-5-14(6-2)13(18)16(8-7-12(17)15-14)9-10-19-11(3)4/h11H,5-10H2,1-4H3,(H,15,17)
InChIKeyDGSJPSGVQGGFPM-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-diethyl-1-(5-methylhexyl)-1,4-diazepane-2,5-dione
CID 115327206
3,3-diethyl-1-[(E)-pent-3-enyl]-1,4-diazepane-2,5-dione
CID 113466165
3,3-diethyl-1-(2-methylsulfanylpropyl)-1,4-diazepane-2,5-dione
CID 113466958
3,3-diethyl-1-(2-pyridin-4-ylethyl)-1,4-diazepane-2,5-dione
CID 64964114
1-[4-(dimethylamino)butyl]-3,3-diethyl-1,4-diazepane-2,5-dione
CID 64968681
3,3-diethyl-1-(2-thiophen-3-ylethyl)-1,4-diazepane-2,5-dione
CID 64883852
3,3-diethyl-1-(1-methoxypentan-2-yl)-1,4-diazepane-2,5-dione
CID 64972860
1-(2-propan-2-yloxyethyl)pyrrolidin-2-one
CID 58735421
3,3-diethyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 64969958
1-cyclopentyl-3,3-diethyl-1,4-diazepane-2,5-dione
CID 64958518
3,3-diethyl-1-(oxan-4-yl)-1,4-diazepane-2,5-dione
CID 64960815
3-bromo-1-(2-propan-2-yloxyethyl)pyrrolidin-2-one
CID 104766118

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane-2,5-dione (CID 64882509) is 3,3-diethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane-2,5-dione is CCC1(CC)NC(=O)CCN(CCOC(C)C)C1=O.
What is the InChIKey of 3,3-diethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane-2,5-dione?
The InChIKey is DGSJPSGVQGGFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-14(6-2)13(18)16(8-7-12(17)15-14)9-10-19-11(3)4/h11H,5-10H2,1-4H3,(H,15,17).
What are the key properties of 3,3-diethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane-2,5-dione?
3,3-diethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane-2,5-dione has a molecular weight of 270.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64882509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).