4-(2-hydroxyethyl)-1-(2-methylpropyl)-1,4-diazepan-5-one

C11H22N2O2 — CID 24761265

IUPAC4-(2-hydroxyethyl)-1-(2-methylpropyl)-1,4-diazepan-5-one
SMILESCC(C)CN1CCC(=O)N(CCO)CC1
InChIInChI=1S/C11H22N2O2/c1-10(2)9-12-4-3-11(15)13(6-5-12)7-8-14/h10,14H,3-9H2,1-2H3
InChIKeyBMGOYHDABGWXIF-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.17
Rot. Bonds4

About 4-(2-hydroxyethyl)-1-(2-methylpropyl)-1,4-diazepan-5-one

4-(2-hydroxyethyl)-1-(2-methylpropyl)-1,4-diazepan-5-one (PubChem CID 24761265) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-(2-methylpropyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1-(2-methylpropyl)-1,4-diazepan-5-one
PubChem CID24761265
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-(2-hydroxyethyl)-1-(2-methylpropyl)-1,4-diazepan-5-one
SMILESCC(C)CN1CCC(=O)N(CCO)CC1
InChIInChI=1S/C11H22N2O2/c1-10(2)9-12-4-3-11(15)13(6-5-12)7-8-14/h10,14H,3-9H2,1-2H3
InChIKeyBMGOYHDABGWXIF-UHFFFAOYSA-N
XLogP0.17
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1-(2-methylpropyl)-1,4-diazepan-5-one?
The IUPAC name of 4-(2-hydroxyethyl)-1-(2-methylpropyl)-1,4-diazepan-5-one (CID 24761265) is 4-(2-hydroxyethyl)-1-(2-methylpropyl)-1,4-diazepan-5-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-1-(2-methylpropyl)-1,4-diazepan-5-one?
The canonical SMILES for 4-(2-hydroxyethyl)-1-(2-methylpropyl)-1,4-diazepan-5-one is CC(C)CN1CCC(=O)N(CCO)CC1.
What is the InChIKey of 4-(2-hydroxyethyl)-1-(2-methylpropyl)-1,4-diazepan-5-one?
The InChIKey is BMGOYHDABGWXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2)9-12-4-3-11(15)13(6-5-12)7-8-14/h10,14H,3-9H2,1-2H3.
What are the key properties of 4-(2-hydroxyethyl)-1-(2-methylpropyl)-1,4-diazepan-5-one?
4-(2-hydroxyethyl)-1-(2-methylpropyl)-1,4-diazepan-5-one has a molecular weight of 214.31 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1-(2-methylpropyl)-1,4-diazepan-5-one is sourced from PubChem (CID 24761265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).