N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide

C13H25N3O2 — CID 76919763

IUPACN-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide
SMILESCCCN(C(=O)C(CC)(CC)C(N)=NO)C1CC1
InChIInChI=1S/C13H25N3O2/c1-4-9-16(10-7-8-10)12(17)13(5-2,6-3)11(14)15-18/h10,18H,4-9H2,1-3H3,(H2,14,15)
InChIKeyLKVFYQKFSURVIG-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.94
Rot. Bonds7

About N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide

N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide (PubChem CID 76919763) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide
PubChem CID76919763
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide
SMILESCCCN(C(=O)C(CC)(CC)C(N)=NO)C1CC1
InChIInChI=1S/C13H25N3O2/c1-4-9-16(10-7-8-10)12(17)13(5-2,6-3)11(14)15-18/h10,18H,4-9H2,1-3H3,(H2,14,15)
InChIKeyLKVFYQKFSURVIG-UHFFFAOYSA-N
XLogP1.94
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.94
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 N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide?
The IUPAC name of N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide (CID 76919763) is N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide.
What is the SMILES notation for N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide?
The canonical SMILES for N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide is CCCN(C(=O)C(CC)(CC)C(N)=NO)C1CC1.
What is the InChIKey of N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide?
The InChIKey is LKVFYQKFSURVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-9-16(10-7-8-10)12(17)13(5-2,6-3)11(14)15-18/h10,18H,4-9H2,1-3H3,(H2,14,15).
What are the key properties of N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide?
N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide has a molecular weight of 255.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide is sourced from PubChem (CID 76919763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).