N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)butanamide

C13H25N3O2 — CID 76923943

IUPACN-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)butanamide
SMILESCC(C)CN(C(=O)C(C(N)=NO)C(C)C)C1CC1
InChIInChI=1S/C13H25N3O2/c1-8(2)7-16(10-5-6-10)13(17)11(9(3)4)12(14)15-18/h8-11,18H,5-7H2,1-4H3,(H2,14,15)
InChIKeyOKRHJPNEZYMQSI-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.65
Rot. Bonds6

About N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)butanamide

N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)butanamide (PubChem CID 76923943) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)butanamide
PubChem CID76923943
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)butanamide
SMILESCC(C)CN(C(=O)C(C(N)=NO)C(C)C)C1CC1
InChIInChI=1S/C13H25N3O2/c1-8(2)7-16(10-5-6-10)13(17)11(9(3)4)12(14)15-18/h8-11,18H,5-7H2,1-4H3,(H2,14,15)
InChIKeyOKRHJPNEZYMQSI-UHFFFAOYSA-N
XLogP1.65
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.65
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-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)butanamide?
The IUPAC name of N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)butanamide (CID 76923943) is N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)butanamide.
What is the SMILES notation for N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)butanamide?
The canonical SMILES for N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)butanamide is CC(C)CN(C(=O)C(C(N)=NO)C(C)C)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)butanamide?
The InChIKey is OKRHJPNEZYMQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-8(2)7-16(10-5-6-10)13(17)11(9(3)4)12(14)15-18/h8-11,18H,5-7H2,1-4H3,(H2,14,15).
What are the key properties of N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)butanamide?
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)butanamide has a molecular weight of 255.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 76923943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).