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

C15H22N2O3 — CID 25011541

IUPAC4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
SMILESCOc1ccc(CN2CCC(=O)N(CCO)CC2)cc1
InChIInChI=1S/C15H22N2O3/c1-20-14-4-2-13(3-5-14)12-16-7-6-15(19)17(9-8-16)10-11-18/h2-5,18H,6-12H2,1H3
InChIKeyFTXSLBZDOWVUBM-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.72
Rot. Bonds5

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

4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one (PubChem CID 25011541) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
PubChem CID25011541
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
SMILESCOc1ccc(CN2CCC(=O)N(CCO)CC2)cc1
InChIInChI=1S/C15H22N2O3/c1-20-14-4-2-13(3-5-14)12-16-7-6-15(19)17(9-8-16)10-11-18/h2-5,18H,6-12H2,1H3
InChIKeyFTXSLBZDOWVUBM-UHFFFAOYSA-N
XLogP0.72
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one?
The IUPAC name of 4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one (CID 25011541) is 4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one?
The canonical SMILES for 4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one is COc1ccc(CN2CCC(=O)N(CCO)CC2)cc1.
What is the InChIKey of 4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one?
The InChIKey is FTXSLBZDOWVUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-14-4-2-13(3-5-14)12-16-7-6-15(19)17(9-8-16)10-11-18/h2-5,18H,6-12H2,1H3.
What are the key properties of 4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one?
4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one has a molecular weight of 278.35 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one is sourced from PubChem (CID 25011541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).