1-(N'-hydroxycarbamimidoyl)-3-methyl-N-(3-methylpentan-2-yl)cyclobutane-1-carboxamide

C13H25N3O2 — CID 80597390

IUPAC1-(N'-hydroxycarbamimidoyl)-3-methyl-N-(3-methylpentan-2-yl)cyclobutane-1-carboxamide
SMILESCCC(C)C(C)NC(=O)C1(C(N)=NO)CC(C)C1
InChIInChI=1S/C13H25N3O2/c1-5-9(3)10(4)15-12(17)13(11(14)16-18)6-8(2)7-13/h8-10,18H,5-7H2,1-4H3,(H2,14,16)(H,15,17)
InChIKeyOVGFAVCCBRDTTH-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.70
Rot. Bonds5

About 1-(N'-hydroxycarbamimidoyl)-3-methyl-N-(3-methylpentan-2-yl)cyclobutane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-3-methyl-N-(3-methylpentan-2-yl)cyclobutane-1-carboxamide (PubChem CID 80597390) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-3-methyl-N-(3-methylpentan-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-3-methyl-N-(3-methylpentan-2-yl)cyclobutane-1-carboxamide
PubChem CID80597390
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-(N'-hydroxycarbamimidoyl)-3-methyl-N-(3-methylpentan-2-yl)cyclobutane-1-carboxamide
SMILESCCC(C)C(C)NC(=O)C1(C(N)=NO)CC(C)C1
InChIInChI=1S/C13H25N3O2/c1-5-9(3)10(4)15-12(17)13(11(14)16-18)6-8(2)7-13/h8-10,18H,5-7H2,1-4H3,(H2,14,16)(H,15,17)
InChIKeyOVGFAVCCBRDTTH-UHFFFAOYSA-N
XLogP1.70
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.70
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 1-(N'-hydroxycarbamimidoyl)-3-methyl-N-(3-methylpentan-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-3-methyl-N-(3-methylpentan-2-yl)cyclobutane-1-carboxamide (CID 80597390) is 1-(N'-hydroxycarbamimidoyl)-3-methyl-N-(3-methylpentan-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-3-methyl-N-(3-methylpentan-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-3-methyl-N-(3-methylpentan-2-yl)cyclobutane-1-carboxamide is CCC(C)C(C)NC(=O)C1(C(N)=NO)CC(C)C1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-3-methyl-N-(3-methylpentan-2-yl)cyclobutane-1-carboxamide?
The InChIKey is OVGFAVCCBRDTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-5-9(3)10(4)15-12(17)13(11(14)16-18)6-8(2)7-13/h8-10,18H,5-7H2,1-4H3,(H2,14,16)(H,15,17).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-3-methyl-N-(3-methylpentan-2-yl)cyclobutane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-3-methyl-N-(3-methylpentan-2-yl)cyclobutane-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-3-methyl-N-(3-methylpentan-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80597390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).