1-(furan-2-ylmethyl)-6-hydroxy-4-(2-methoxybenzoyl)-1,4-diazepan-2-one

C18H20N2O5 — CID 118738542

IUPAC1-(furan-2-ylmethyl)-6-hydroxy-4-(2-methoxybenzoyl)-1,4-diazepan-2-one
SMILESCOc1ccccc1C(=O)N1CC(=O)N(Cc2ccco2)CC(O)C1
InChIInChI=1S/C18H20N2O5/c1-24-16-7-3-2-6-15(16)18(23)20-10-13(21)9-19(17(22)12-20)11-14-5-4-8-25-14/h2-8,13,21H,9-12H2,1H3
InChIKeyGJYWQJICQQAMHM-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.13
Rot. Bonds4

About 1-(furan-2-ylmethyl)-6-hydroxy-4-(2-methoxybenzoyl)-1,4-diazepan-2-one

1-(furan-2-ylmethyl)-6-hydroxy-4-(2-methoxybenzoyl)-1,4-diazepan-2-one (PubChem CID 118738542) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-6-hydroxy-4-(2-methoxybenzoyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-6-hydroxy-4-(2-methoxybenzoyl)-1,4-diazepan-2-one
PubChem CID118738542
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name1-(furan-2-ylmethyl)-6-hydroxy-4-(2-methoxybenzoyl)-1,4-diazepan-2-one
SMILESCOc1ccccc1C(=O)N1CC(=O)N(Cc2ccco2)CC(O)C1
InChIInChI=1S/C18H20N2O5/c1-24-16-7-3-2-6-15(16)18(23)20-10-13(21)9-19(17(22)12-20)11-14-5-4-8-25-14/h2-8,13,21H,9-12H2,1H3
InChIKeyGJYWQJICQQAMHM-UHFFFAOYSA-N
XLogP1.13
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-6-hydroxy-4-(2-methoxybenzoyl)-1,4-diazepan-2-one?
The IUPAC name of 1-(furan-2-ylmethyl)-6-hydroxy-4-(2-methoxybenzoyl)-1,4-diazepan-2-one (CID 118738542) is 1-(furan-2-ylmethyl)-6-hydroxy-4-(2-methoxybenzoyl)-1,4-diazepan-2-one.
What is the SMILES notation for 1-(furan-2-ylmethyl)-6-hydroxy-4-(2-methoxybenzoyl)-1,4-diazepan-2-one?
The canonical SMILES for 1-(furan-2-ylmethyl)-6-hydroxy-4-(2-methoxybenzoyl)-1,4-diazepan-2-one is COc1ccccc1C(=O)N1CC(=O)N(Cc2ccco2)CC(O)C1.
What is the InChIKey of 1-(furan-2-ylmethyl)-6-hydroxy-4-(2-methoxybenzoyl)-1,4-diazepan-2-one?
The InChIKey is GJYWQJICQQAMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-24-16-7-3-2-6-15(16)18(23)20-10-13(21)9-19(17(22)12-20)11-14-5-4-8-25-14/h2-8,13,21H,9-12H2,1H3.
What are the key properties of 1-(furan-2-ylmethyl)-6-hydroxy-4-(2-methoxybenzoyl)-1,4-diazepan-2-one?
1-(furan-2-ylmethyl)-6-hydroxy-4-(2-methoxybenzoyl)-1,4-diazepan-2-one has a molecular weight of 344.37 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-6-hydroxy-4-(2-methoxybenzoyl)-1,4-diazepan-2-one is sourced from PubChem (CID 118738542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).