2-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-propylbutanamide

C11H23N3O2 — CID 76924759

IUPAC2-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-propylbutanamide
SMILESCCCN(C(=O)C(CC)C(N)=NO)C(C)C
InChIInChI=1S/C11H23N3O2/c1-5-7-14(8(3)4)11(15)9(6-2)10(12)13-16/h8-9,16H,5-7H2,1-4H3,(H2,12,13)
InChIKeyDGDDWXAPOHRADF-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.41
Rot. Bonds6

About 2-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-propylbutanamide

2-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-propylbutanamide (PubChem CID 76924759) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-propylbutanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-propylbutanamide
PubChem CID76924759
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-propylbutanamide
SMILESCCCN(C(=O)C(CC)C(N)=NO)C(C)C
InChIInChI=1S/C11H23N3O2/c1-5-7-14(8(3)4)11(15)9(6-2)10(12)13-16/h8-9,16H,5-7H2,1-4H3,(H2,12,13)
InChIKeyDGDDWXAPOHRADF-UHFFFAOYSA-N
XLogP1.41
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
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 2-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-propylbutanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-propylbutanamide (CID 76924759) is 2-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-propylbutanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-propylbutanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-propylbutanamide is CCCN(C(=O)C(CC)C(N)=NO)C(C)C.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-propylbutanamide?
The InChIKey is DGDDWXAPOHRADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-5-7-14(8(3)4)11(15)9(6-2)10(12)13-16/h8-9,16H,5-7H2,1-4H3,(H2,12,13).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-propylbutanamide?
2-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-propylbutanamide has a molecular weight of 229.32 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-propylbutanamide is sourced from PubChem (CID 76924759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).