2-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide

C15H27N3O3 — CID 80715690

IUPAC2-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NC1CC2CCC1O2)C(N)=NO
InChIInChI=1S/C15H27N3O3/c1-3-7-15(8-4-2,13(16)18-20)14(19)17-11-9-10-5-6-12(11)21-10/h10-12,20H,3-9H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyHLAWHATYNPDOJP-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.76
Rot. Bonds7

About 2-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide

2-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide (PubChem CID 80715690) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide
PubChem CID80715690
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NC1CC2CCC1O2)C(N)=NO
InChIInChI=1S/C15H27N3O3/c1-3-7-15(8-4-2,13(16)18-20)14(19)17-11-9-10-5-6-12(11)21-10/h10-12,20H,3-9H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyHLAWHATYNPDOJP-UHFFFAOYSA-N
XLogP1.76
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.76
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 2-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide (CID 80715690) is 2-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide is CCCC(CCC)(C(=O)NC1CC2CCC1O2)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide?
The InChIKey is HLAWHATYNPDOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-3-7-15(8-4-2,13(16)18-20)14(19)17-11-9-10-5-6-12(11)21-10/h10-12,20H,3-9H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide?
2-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide has a molecular weight of 297.40 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide is sourced from PubChem (CID 80715690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).