N-(1-adamantyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide

C16H25N3O2 — CID 80593135

IUPACN-(1-adamantyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NC23CC4CC(CC(C4)C2)C3)CCC1
InChIInChI=1S/C16H25N3O2/c17-13(19-21)16(2-1-3-16)14(20)18-15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12,21H,1-9H2,(H2,17,19)(H,18,20)
InChIKeyQVTFXAFIYLPOKP-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.99
Rot. Bonds3

About N-(1-adamantyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide

N-(1-adamantyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide (PubChem CID 80593135) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
PubChem CID80593135
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(1-adamantyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NC23CC4CC(CC(C4)C2)C3)CCC1
InChIInChI=1S/C16H25N3O2/c17-13(19-21)16(2-1-3-16)14(20)18-15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12,21H,1-9H2,(H2,17,19)(H,18,20)
InChIKeyQVTFXAFIYLPOKP-UHFFFAOYSA-N
XLogP1.99
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-(1-adamantyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide (CID 80593135) is N-(1-adamantyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide is NC(=NO)C1(C(=O)NC23CC4CC(CC(C4)C2)C3)CCC1.
What is the InChIKey of N-(1-adamantyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide?
The InChIKey is QVTFXAFIYLPOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c17-13(19-21)16(2-1-3-16)14(20)18-15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12,21H,1-9H2,(H2,17,19)(H,18,20).
What are the key properties of N-(1-adamantyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide?
N-(1-adamantyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80593135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).