4-(2-hydroxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-5-one

C14H20N2O3 — CID 24816468

IUPAC4-(2-hydroxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-5-one
SMILESO=C1CCN(Cc2ccc(O)cc2)CCN1CCO
InChIInChI=1S/C14H20N2O3/c17-10-9-16-8-7-15(6-5-14(16)19)11-12-1-3-13(18)4-2-12/h1-4,17-18H,5-11H2
InChIKeySKFIIABNIYFFNQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.42
Rot. Bonds4

About 4-(2-hydroxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-5-one

4-(2-hydroxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-5-one (PubChem CID 24816468) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-5-one
PubChem CID24816468
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-(2-hydroxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-5-one
SMILESO=C1CCN(Cc2ccc(O)cc2)CCN1CCO
InChIInChI=1S/C14H20N2O3/c17-10-9-16-8-7-15(6-5-14(16)19)11-12-1-3-13(18)4-2-12/h1-4,17-18H,5-11H2
InChIKeySKFIIABNIYFFNQ-UHFFFAOYSA-N
XLogP0.42
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1S)-2-hydroxy-1-phenylethyl]-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-5-one
CID 24761278
4-[(1S)-2-hydroxy-1-phenylethyl]-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 24761279
1-[(4-hydroxyphenyl)methyl]-4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,4-diazepan-5-one
CID 24761303
4-[[Bis(2-hydroxyethyl)amino]methyl]phenol
CID 53301990
O-Desmethyl-p-hydroxylacosamide
CID 156596630
4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-5-one
CID 24761247
4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 24761266
4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 24761317
6-Hydroxy-1-[(4-methoxyphenyl)methyl]-4-(3-methylbutanoyl)-1,4-diazepan-2-one
CID 118738611
4-(2-Hydroxyethyl)-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 25011541
N,N-diethyl-2-{[4-(4-hydroxybenzyl)-2-oxo-1-(2-phenylethyl)-1,4-diazepan-6-yl]oxy}acetamide
CID 45164021
1-Benzyl-4-[3-(4-hydroxyphenyl)propanoyl]-1,4-diazepan-6-ol
CID 72914822

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-5-one?
The IUPAC name of 4-(2-hydroxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-5-one (CID 24816468) is 4-(2-hydroxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-5-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-5-one?
The canonical SMILES for 4-(2-hydroxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-5-one is O=C1CCN(Cc2ccc(O)cc2)CCN1CCO.
What is the InChIKey of 4-(2-hydroxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-5-one?
The InChIKey is SKFIIABNIYFFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-10-9-16-8-7-15(6-5-14(16)19)11-12-1-3-13(18)4-2-12/h1-4,17-18H,5-11H2.
What are the key properties of 4-(2-hydroxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-5-one?
4-(2-hydroxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-5-one has a molecular weight of 264.32 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-5-one is sourced from PubChem (CID 24816468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).