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

C14H23N3O3 — CID 80719815

IUPAC1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NC2CC3CCC2O3)CCCCC1
InChIInChI=1S/C14H23N3O3/c15-12(17-19)14(6-2-1-3-7-14)13(18)16-10-8-9-4-5-11(10)20-9/h9-11,19H,1-8H2,(H2,15,17)(H,16,18)
InChIKeyQMTXJUCUPRCMKS-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.12
Rot. Bonds3

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

1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide (PubChem CID 80719815) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide
PubChem CID80719815
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NC2CC3CCC2O3)CCCCC1
InChIInChI=1S/C14H23N3O3/c15-12(17-19)14(6-2-1-3-7-14)13(18)16-10-8-9-4-5-11(10)20-9/h9-11,19H,1-8H2,(H2,15,17)(H,16,18)
InChIKeyQMTXJUCUPRCMKS-UHFFFAOYSA-N
XLogP1.12
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.12
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'}

Analyze 1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide (CID 80719815) is 1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide is NC(=NO)C1(C(=O)NC2CC3CCC2O3)CCCCC1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is QMTXJUCUPRCMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c15-12(17-19)14(6-2-1-3-7-14)13(18)16-10-8-9-4-5-11(10)20-9/h9-11,19H,1-8H2,(H2,15,17)(H,16,18).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 1.12, 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)cyclohexane-1-carboxamide is sourced from PubChem (CID 80719815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).