11-hydroxy-N-methoxy-4-(2-methoxyethoxymethoxy)-10-oxo-9,11-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide

C16H21N3O7 — CID 87626671

IUPAC11-hydroxy-N-methoxy-4-(2-methoxyethoxymethoxy)-10-oxo-9,11-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
SMILESCOCCOCOc1ccc2c(c1)C1CN(C(=O)N1O)C2C(=O)NOC
InChIInChI=1S/C16H21N3O7/c1-23-5-6-25-9-26-10-3-4-11-12(7-10)13-8-18(16(21)19(13)22)14(11)15(20)17-24-2/h3-4,7,13-14,22H,5-6,8-9H2,1-2H3,(H,17,20)
InChIKeyHMUWDKPKSXGTGU-UHFFFAOYSA-N
MW367.36 g/mol
LogP0.59
Rot. Bonds8

About 11-hydroxy-N-methoxy-4-(2-methoxyethoxymethoxy)-10-oxo-9,11-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide

11-hydroxy-N-methoxy-4-(2-methoxyethoxymethoxy)-10-oxo-9,11-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide (PubChem CID 87626671) has the molecular formula C16H21N3O7 and a molecular weight of 367.36 g/mol. Its IUPAC name is 11-hydroxy-N-methoxy-4-(2-methoxyethoxymethoxy)-10-oxo-9,11-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide.

Molecular Properties

Compound Name11-hydroxy-N-methoxy-4-(2-methoxyethoxymethoxy)-10-oxo-9,11-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
PubChem CID87626671
Molecular FormulaC16H21N3O7
Molecular Weight367.36 g/mol
Exact Mass367.14
IUPAC Name11-hydroxy-N-methoxy-4-(2-methoxyethoxymethoxy)-10-oxo-9,11-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
SMILESCOCCOCOc1ccc2c(c1)C1CN(C(=O)N1O)C2C(=O)NOC
InChIInChI=1S/C16H21N3O7/c1-23-5-6-25-9-26-10-3-4-11-12(7-10)13-8-18(16(21)19(13)22)14(11)15(20)17-24-2/h3-4,7,13-14,22H,5-6,8-9H2,1-2H3,(H,17,20)
InChIKeyHMUWDKPKSXGTGU-UHFFFAOYSA-N
XLogP0.59
TPSA109.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-N-methoxy-4-(2-methoxyethoxymethoxy)-10-oxo-9,11-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
The IUPAC name of 11-hydroxy-N-methoxy-4-(2-methoxyethoxymethoxy)-10-oxo-9,11-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide (CID 87626671) is 11-hydroxy-N-methoxy-4-(2-methoxyethoxymethoxy)-10-oxo-9,11-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide.
What is the SMILES notation for 11-hydroxy-N-methoxy-4-(2-methoxyethoxymethoxy)-10-oxo-9,11-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
The canonical SMILES for 11-hydroxy-N-methoxy-4-(2-methoxyethoxymethoxy)-10-oxo-9,11-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide is COCCOCOc1ccc2c(c1)C1CN(C(=O)N1O)C2C(=O)NOC.
What is the InChIKey of 11-hydroxy-N-methoxy-4-(2-methoxyethoxymethoxy)-10-oxo-9,11-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
The InChIKey is HMUWDKPKSXGTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O7/c1-23-5-6-25-9-26-10-3-4-11-12(7-10)13-8-18(16(21)19(13)22)14(11)15(20)17-24-2/h3-4,7,13-14,22H,5-6,8-9H2,1-2H3,(H,17,20).
What are the key properties of 11-hydroxy-N-methoxy-4-(2-methoxyethoxymethoxy)-10-oxo-9,11-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
11-hydroxy-N-methoxy-4-(2-methoxyethoxymethoxy)-10-oxo-9,11-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide has a molecular weight of 367.36 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-N-methoxy-4-(2-methoxyethoxymethoxy)-10-oxo-9,11-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide is sourced from PubChem (CID 87626671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).