7,7-dimethyl-2,3-dioxo-N'-(2-phenoxyacetyl)bicyclo[2.2.1]heptane-1-carbohydrazide

C18H20N2O5 — CID 18834443

IUPAC7,7-dimethyl-2,3-dioxo-N'-(2-phenoxyacetyl)bicyclo[2.2.1]heptane-1-carbohydrazide
SMILESCC1(C)C2CCC1(C(=O)NNC(=O)COc1ccccc1)C(=O)C2=O
InChIInChI=1S/C18H20N2O5/c1-17(2)12-8-9-18(17,15(23)14(12)22)16(24)20-19-13(21)10-25-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,19,21)(H,20,24)
InChIKeyXBROIAGIKHMDFT-UHFFFAOYSA-N
MW344.37 g/mol
LogP0.79
Rot. Bonds4

About 7,7-dimethyl-2,3-dioxo-N'-(2-phenoxyacetyl)bicyclo[2.2.1]heptane-1-carbohydrazide

7,7-dimethyl-2,3-dioxo-N'-(2-phenoxyacetyl)bicyclo[2.2.1]heptane-1-carbohydrazide (PubChem CID 18834443) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 7,7-dimethyl-2,3-dioxo-N'-(2-phenoxyacetyl)bicyclo[2.2.1]heptane-1-carbohydrazide.

Molecular Properties

Compound Name7,7-dimethyl-2,3-dioxo-N'-(2-phenoxyacetyl)bicyclo[2.2.1]heptane-1-carbohydrazide
PubChem CID18834443
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name7,7-dimethyl-2,3-dioxo-N'-(2-phenoxyacetyl)bicyclo[2.2.1]heptane-1-carbohydrazide
SMILESCC1(C)C2CCC1(C(=O)NNC(=O)COc1ccccc1)C(=O)C2=O
InChIInChI=1S/C18H20N2O5/c1-17(2)12-8-9-18(17,15(23)14(12)22)16(24)20-19-13(21)10-25-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,19,21)(H,20,24)
InChIKeyXBROIAGIKHMDFT-UHFFFAOYSA-N
XLogP0.79
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7,7-dimethyl-2,3-dioxo-N'-(2-phenoxyacetyl)bicyclo[2.2.1]heptane-1-carbohydrazide with MolForge

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Related Compounds

N-(2,6-dichlorophenyl)-7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
CID 18834452
N'-(2-phenoxyacetyl)propanehydrazide
CID 4508940
2-phenoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 2921422
N'-(2-phenoxyacetyl)cyclohexanecarbohydrazide
CID 695727
N'-(2-phenoxyacetyl)spiro[2.3]hexane-2-carbohydrazide
CID 2834275
2,2-dichloro-1-methyl-N'-[2-(4-phenylmethoxyphenoxy)acetyl]cyclopropane-1-carbohydrazide
CID 43002536
N'-chloro-2-phenoxyacetohydrazide
CID 174818653
N-(4-oxocyclohexyl)-2-phenoxyacetamide
CID 43652791
1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea
CID 19167980
N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219862
N'-[2-(4-ethylphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26717724
4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanoate
CID 7027212

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2,3-dioxo-N'-(2-phenoxyacetyl)bicyclo[2.2.1]heptane-1-carbohydrazide?
The IUPAC name of 7,7-dimethyl-2,3-dioxo-N'-(2-phenoxyacetyl)bicyclo[2.2.1]heptane-1-carbohydrazide (CID 18834443) is 7,7-dimethyl-2,3-dioxo-N'-(2-phenoxyacetyl)bicyclo[2.2.1]heptane-1-carbohydrazide.
What is the SMILES notation for 7,7-dimethyl-2,3-dioxo-N'-(2-phenoxyacetyl)bicyclo[2.2.1]heptane-1-carbohydrazide?
The canonical SMILES for 7,7-dimethyl-2,3-dioxo-N'-(2-phenoxyacetyl)bicyclo[2.2.1]heptane-1-carbohydrazide is CC1(C)C2CCC1(C(=O)NNC(=O)COc1ccccc1)C(=O)C2=O.
What is the InChIKey of 7,7-dimethyl-2,3-dioxo-N'-(2-phenoxyacetyl)bicyclo[2.2.1]heptane-1-carbohydrazide?
The InChIKey is XBROIAGIKHMDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-17(2)12-8-9-18(17,15(23)14(12)22)16(24)20-19-13(21)10-25-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,19,21)(H,20,24).
What are the key properties of 7,7-dimethyl-2,3-dioxo-N'-(2-phenoxyacetyl)bicyclo[2.2.1]heptane-1-carbohydrazide?
7,7-dimethyl-2,3-dioxo-N'-(2-phenoxyacetyl)bicyclo[2.2.1]heptane-1-carbohydrazide has a molecular weight of 344.37 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2,3-dioxo-N'-(2-phenoxyacetyl)bicyclo[2.2.1]heptane-1-carbohydrazide is sourced from PubChem (CID 18834443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).