N-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide

C13H27N3O2 — CID 77015683

IUPACN-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide
SMILESCC(C)CN(CCC(N)=NO)C(=O)C(C)C(C)C
InChIInChI=1S/C13H27N3O2/c1-9(2)8-16(7-6-12(14)15-18)13(17)11(5)10(3)4/h9-11,18H,6-8H2,1-5H3,(H2,14,15)
InChIKeyYGKAUWAKBPAKKD-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.90
Rot. Bonds7

About N-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide

N-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide (PubChem CID 77015683) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide
PubChem CID77015683
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide
SMILESCC(C)CN(CCC(N)=NO)C(=O)C(C)C(C)C
InChIInChI=1S/C13H27N3O2/c1-9(2)8-16(7-6-12(14)15-18)13(17)11(5)10(3)4/h9-11,18H,6-8H2,1-5H3,(H2,14,15)
InChIKeyYGKAUWAKBPAKKD-UHFFFAOYSA-N
XLogP1.90
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.90
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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Related Compounds

N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dimethylbutanamide
CID 77015678
N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-(2-methylpropyl)acetamide
CID 76917115
1-(3-amino-3-hydroxyiminopropyl)-3-ethyl-3-methyl-1-(2-methylpropyl)urea
CID 79163221
N-(3-amino-3-hydroxyiminopropyl)-3,3,3-trifluoro-N-(2-methylpropyl)propanamide
CID 76917326
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)-2-methylsulfonylacetamide
CID 77015110
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide
CID 77069051
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)oxane-4-carboxamide
CID 55132762
N-(3-amino-3-hydroxyiminopropyl)-4-fluoro-N-(2-methylpropyl)benzamide
CID 76917276
N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107182758
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)thiadiazole-4-carboxamide
CID 77060547
N-(3-amino-3-hydroxyiminopropyl)-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide
CID 81327965
N'-hydroxy-3-[2-methylbutyl(2-methylpropyl)amino]propanimidamide
CID 76935617

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide (CID 77015683) is N-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide is CC(C)CN(CCC(N)=NO)C(=O)C(C)C(C)C.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide?
The InChIKey is YGKAUWAKBPAKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-9(2)8-16(7-6-12(14)15-18)13(17)11(5)10(3)4/h9-11,18H,6-8H2,1-5H3,(H2,14,15).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide?
N-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide has a molecular weight of 257.38 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 77015683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).