7,7-dimethyl-N-(3-morpholin-4-ylpropyl)-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide

C17H26N2O4 — CID 18834323

IUPAC7,7-dimethyl-N-(3-morpholin-4-ylpropyl)-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)C2CCC1(C(=O)NCCCN1CCOCC1)C(=O)C2=O
InChIInChI=1S/C17H26N2O4/c1-16(2)12-4-5-17(16,14(21)13(12)20)15(22)18-6-3-7-19-8-10-23-11-9-19/h12H,3-11H2,1-2H3,(H,18,22)
InChIKeyYGQKNLMOQARPAI-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.40
Rot. Bonds5

About 7,7-dimethyl-N-(3-morpholin-4-ylpropyl)-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide

7,7-dimethyl-N-(3-morpholin-4-ylpropyl)-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 18834323) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 7,7-dimethyl-N-(3-morpholin-4-ylpropyl)-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name7,7-dimethyl-N-(3-morpholin-4-ylpropyl)-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID18834323
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name7,7-dimethyl-N-(3-morpholin-4-ylpropyl)-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)C2CCC1(C(=O)NCCCN1CCOCC1)C(=O)C2=O
InChIInChI=1S/C17H26N2O4/c1-16(2)12-4-5-17(16,14(21)13(12)20)15(22)18-6-3-7-19-8-10-23-11-9-19/h12H,3-11H2,1-2H3,(H,18,22)
InChIKeyYGQKNLMOQARPAI-UHFFFAOYSA-N
XLogP0.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7,7-dimethyl-N-(3-morpholin-4-ylpropyl)-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide with MolForge

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Related Compounds

7,7-dimethyl-N-(3-morpholin-4-ylpropyl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 18834163
1-carbamothioyl-3-methyl-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide
CID 80592759
1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095713
6-hydroxy-2,5,7,8-tetramethyl-N-(3-morpholin-4-ylpropyl)-3,4-dihydrochromene-2-carboxamide
CID 67262981
12,15,15-trimethyl-N-(3-morpholin-4-ylpropyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 5159448
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
(E)-N-(3-morpholin-4-ylpropyl)but-2-en-2-amine
CID 156564164
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
N'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518511
2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
CID 108504537
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-(3-morpholin-4-ylpropyl)-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of 7,7-dimethyl-N-(3-morpholin-4-ylpropyl)-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide (CID 18834323) is 7,7-dimethyl-N-(3-morpholin-4-ylpropyl)-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for 7,7-dimethyl-N-(3-morpholin-4-ylpropyl)-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for 7,7-dimethyl-N-(3-morpholin-4-ylpropyl)-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide is CC1(C)C2CCC1(C(=O)NCCCN1CCOCC1)C(=O)C2=O.
What is the InChIKey of 7,7-dimethyl-N-(3-morpholin-4-ylpropyl)-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is YGQKNLMOQARPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-16(2)12-4-5-17(16,14(21)13(12)20)15(22)18-6-3-7-19-8-10-23-11-9-19/h12H,3-11H2,1-2H3,(H,18,22).
What are the key properties of 7,7-dimethyl-N-(3-morpholin-4-ylpropyl)-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide?
7,7-dimethyl-N-(3-morpholin-4-ylpropyl)-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-(3-morpholin-4-ylpropyl)-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 18834323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).