4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-2-one

C13H16N2O4 — CID 62896513

IUPAC4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-2-one
SMILESCOc1cccc(C(=O)N2CCCNC(=O)C2)c1O
InChIInChI=1S/C13H16N2O4/c1-19-10-5-2-4-9(12(10)17)13(18)15-7-3-6-14-11(16)8-15/h2,4-5,17H,3,6-8H2,1H3,(H,14,16)
InChIKeyYBOZUBZGPNKBDY-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.36
Rot. Bonds2

About 4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-2-one

4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-2-one (PubChem CID 62896513) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-2-one
PubChem CID62896513
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-2-one
SMILESCOc1cccc(C(=O)N2CCCNC(=O)C2)c1O
InChIInChI=1S/C13H16N2O4/c1-19-10-5-2-4-9(12(10)17)13(18)15-7-3-6-14-11(16)8-15/h2,4-5,17H,3,6-8H2,1H3,(H,14,16)
InChIKeyYBOZUBZGPNKBDY-UHFFFAOYSA-N
XLogP0.36
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-aminopropoxy)-3-methoxybenzoyl]-1,4-diazepan-2-one
CID 118770092
4-(4-chloro-2-methoxybenzoyl)-1,4-diazepan-2-one
CID 62898123
4-(2,3,4-trimethoxybenzoyl)piperazin-2-one
CID 31096069
4-(quinoline-5-carbonyl)-1,4-diazepan-2-one
CID 62898516
4-(2-amino-6-methoxybenzoyl)piperazin-2-one
CID 81410266
(2-hydroxy-3-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 62045617
4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one
CID 113258340
4-(1H-indole-4-carbonyl)-1,4-diazepan-2-one
CID 65360904
1-(2-hydroxy-3-methoxybenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432919
(4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 63390939
1-(2-hydroxy-3-methoxybenzoyl)piperidine-3-carboxylic acid
CID 24705711
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-hydroxy-3-methoxyphenyl)methanone
CID 66210628

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-2-one?
The IUPAC name of 4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-2-one (CID 62896513) is 4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-2-one is COc1cccc(C(=O)N2CCCNC(=O)C2)c1O.
What is the InChIKey of 4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-2-one?
The InChIKey is YBOZUBZGPNKBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-10-5-2-4-9(12(10)17)13(18)15-7-3-6-14-11(16)8-15/h2,4-5,17H,3,6-8H2,1H3,(H,14,16).
What are the key properties of 4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-2-one?
4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-2-one has a molecular weight of 264.28 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-2-one is sourced from PubChem (CID 62896513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).