(1R,4R)-N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

C17H25N3O — CID 7349258

IUPAC(1R,4R)-N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)NCCCn1ccnc1)C2
InChIInChI=1S/C17H25N3O/c1-13-16(2,3)14-5-6-17(13,11-14)15(21)19-7-4-9-20-10-8-18-12-20/h8,10,12,14H,1,4-7,9,11H2,2-3H3,(H,19,21)/t14-,17-/m1/s1
InChIKeyGSQGPXLVKDFPLX-RHSMWYFYSA-N
MW287.41 g/mol
LogP2.77
Rot. Bonds5

About (1R,4R)-N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

(1R,4R)-N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 7349258) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (1R,4R)-N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1R,4R)-N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
PubChem CID7349258
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(1R,4R)-N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)NCCCn1ccnc1)C2
InChIInChI=1S/C17H25N3O/c1-13-16(2,3)14-5-6-17(13,11-14)15(21)19-7-4-9-20-10-8-18-12-20/h8,10,12,14H,1,4-7,9,11H2,2-3H3,(H,19,21)/t14-,17-/m1/s1
InChIKeyGSQGPXLVKDFPLX-RHSMWYFYSA-N
XLogP2.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1R,4R)-N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (CID 7349258) is (1R,4R)-N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1R,4R)-N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1R,4R)-N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)NCCCn1ccnc1)C2.
What is the InChIKey of (1R,4R)-N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is GSQGPXLVKDFPLX-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-16(2,3)14-5-6-17(13,11-14)15(21)19-7-4-9-20-10-8-18-12-20/h8,10,12,14H,1,4-7,9,11H2,2-3H3,(H,19,21)/t14-,17-/m1/s1.
What are the key properties of (1R,4R)-N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
(1R,4R)-N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-N-(3-imidazol-1-ylpropyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 7349258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).