4-(2-hydroxyethyl)-1-(3-phenylpropyl)-1,4-diazepan-5-one

C16H24N2O2 — CID 24761257

IUPAC4-(2-hydroxyethyl)-1-(3-phenylpropyl)-1,4-diazepan-5-one
SMILESO=C1CCN(CCCc2ccccc2)CCN1CCO
InChIInChI=1S/C16H24N2O2/c19-14-13-18-12-11-17(10-8-16(18)20)9-4-7-15-5-2-1-3-6-15/h1-3,5-6,19H,4,7-14H2
InChIKeyCEUIYXUMSIPRNP-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.15
Rot. Bonds6

About 4-(2-hydroxyethyl)-1-(3-phenylpropyl)-1,4-diazepan-5-one

4-(2-hydroxyethyl)-1-(3-phenylpropyl)-1,4-diazepan-5-one (PubChem CID 24761257) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-(3-phenylpropyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1-(3-phenylpropyl)-1,4-diazepan-5-one
PubChem CID24761257
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-(2-hydroxyethyl)-1-(3-phenylpropyl)-1,4-diazepan-5-one
SMILESO=C1CCN(CCCc2ccccc2)CCN1CCO
InChIInChI=1S/C16H24N2O2/c19-14-13-18-12-11-17(10-8-16(18)20)9-4-7-15-5-2-1-3-6-15/h1-3,5-6,19H,4,7-14H2
InChIKeyCEUIYXUMSIPRNP-UHFFFAOYSA-N
XLogP1.15
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.15
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-(3-phenylpropyl)-1,4-diazepan-5-one?
The IUPAC name of 4-(2-hydroxyethyl)-1-(3-phenylpropyl)-1,4-diazepan-5-one (CID 24761257) is 4-(2-hydroxyethyl)-1-(3-phenylpropyl)-1,4-diazepan-5-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-1-(3-phenylpropyl)-1,4-diazepan-5-one?
The canonical SMILES for 4-(2-hydroxyethyl)-1-(3-phenylpropyl)-1,4-diazepan-5-one is O=C1CCN(CCCc2ccccc2)CCN1CCO.
What is the InChIKey of 4-(2-hydroxyethyl)-1-(3-phenylpropyl)-1,4-diazepan-5-one?
The InChIKey is CEUIYXUMSIPRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-14-13-18-12-11-17(10-8-16(18)20)9-4-7-15-5-2-1-3-6-15/h1-3,5-6,19H,4,7-14H2.
What are the key properties of 4-(2-hydroxyethyl)-1-(3-phenylpropyl)-1,4-diazepan-5-one?
4-(2-hydroxyethyl)-1-(3-phenylpropyl)-1,4-diazepan-5-one has a molecular weight of 276.38 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1-(3-phenylpropyl)-1,4-diazepan-5-one is sourced from PubChem (CID 24761257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).