N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C12H25N3O3 — CID 103940423

IUPACN-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCC(CC)(NC(=O)COC(C)(C)C)C(N)=NO
InChIInChI=1S/C12H25N3O3/c1-6-12(7-2,10(13)15-17)14-9(16)8-18-11(3,4)5/h17H,6-8H2,1-5H3,(H2,13,15)(H,14,16)
InChIKeyKPGXMZBVJRGQKH-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.22
Rot. Bonds6

About N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 103940423) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID103940423
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC NameN-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCC(CC)(NC(=O)COC(C)(C)C)C(N)=NO
InChIInChI=1S/C12H25N3O3/c1-6-12(7-2,10(13)15-17)14-9(16)8-18-11(3,4)5/h17H,6-8H2,1-5H3,(H2,13,15)(H,14,16)
InChIKeyKPGXMZBVJRGQKH-UHFFFAOYSA-N
XLogP1.22
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.22
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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Related Compounds

N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211502
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113788731
N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-methoxyacetamide
CID 61278178
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methoxyacetamide
CID 61278382
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methoxyacetamide
CID 61278794
N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-methoxyacetamide
CID 76897415
N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-methoxy-2-methylpropanamide
CID 103022048
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-methoxy-2-methylpropanamide
CID 103022050
N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-methoxy-2-methylpropanamide
CID 103022059
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103022067
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940424
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-propan-2-yloxyacetamide
CID 103940425

Frequently Asked Questions

What is the IUPAC name of N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 103940423) is N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CCC(CC)(NC(=O)COC(C)(C)C)C(N)=NO.
What is the InChIKey of N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is KPGXMZBVJRGQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-6-12(7-2,10(13)15-17)14-9(16)8-18-11(3,4)5/h17H,6-8H2,1-5H3,(H2,13,15)(H,14,16).
What are the key properties of N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 259.35 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 103940423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).