1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide

C15H25N3O3 — CID 80715583

IUPAC1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NC2CC3CCC2O3)CCCCCC1
InChIInChI=1S/C15H25N3O3/c16-13(18-20)15(7-3-1-2-4-8-15)14(19)17-11-9-10-5-6-12(11)21-10/h10-12,20H,1-9H2,(H2,16,18)(H,17,19)
InChIKeyICCRRFDRXFLXIR-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.51
Rot. Bonds3

About 1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide (PubChem CID 80715583) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide
PubChem CID80715583
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NC2CC3CCC2O3)CCCCCC1
InChIInChI=1S/C15H25N3O3/c16-13(18-20)15(7-3-1-2-4-8-15)14(19)17-11-9-10-5-6-12(11)21-10/h10-12,20H,1-9H2,(H2,16,18)(H,17,19)
InChIKeyICCRRFDRXFLXIR-UHFFFAOYSA-N
XLogP1.51
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide (CID 80715583) is 1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide is NC(=NO)C1(C(=O)NC2CC3CCC2O3)CCCCCC1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide?
The InChIKey is ICCRRFDRXFLXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c16-13(18-20)15(7-3-1-2-4-8-15)14(19)17-11-9-10-5-6-12(11)21-10/h10-12,20H,1-9H2,(H2,16,18)(H,17,19).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide is sourced from PubChem (CID 80715583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).