N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide

C16H33N3O2 — CID 77069051

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide
SMILESCCCCCCCCC(=O)N(CCC(N)=NO)CC(C)C
InChIInChI=1S/C16H33N3O2/c1-4-5-6-7-8-9-10-16(20)19(13-14(2)3)12-11-15(17)18-21/h14,21H,4-13H2,1-3H3,(H2,17,18)
InChIKeySVJSVARLUMYYRY-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.36
Rot. Bonds12

About N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide

N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide (PubChem CID 77069051) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide
PubChem CID77069051
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide
SMILESCCCCCCCCC(=O)N(CCC(N)=NO)CC(C)C
InChIInChI=1S/C16H33N3O2/c1-4-5-6-7-8-9-10-16(20)19(13-14(2)3)12-11-15(17)18-21/h14,21H,4-13H2,1-3H3,(H2,17,18)
InChIKeySVJSVARLUMYYRY-UHFFFAOYSA-N
XLogP3.36
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'}

Analyze N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide
CID 54992414
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide
CID 77069041
N'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide
CID 76997716
N-(3-amino-3-hydroxyiminopropyl)-N-methylnonanamide
CID 77069088
N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-(2-methylpropyl)acetamide
CID 76917115
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-(2-amino-2-hydroxyiminoethyl)-N-ethylnonanamide
CID 77069069
N-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide
CID 77015683
1-(3-amino-3-hydroxyiminopropyl)-3-ethyl-3-methyl-1-(2-methylpropyl)urea
CID 79163221
3-[2-methylpropyl(pentanoyl)amino]propanoic acid
CID 82323488
3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917226

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide (CID 77069051) is N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide is CCCCCCCCC(=O)N(CCC(N)=NO)CC(C)C.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide?
The InChIKey is SVJSVARLUMYYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-4-5-6-7-8-9-10-16(20)19(13-14(2)3)12-11-15(17)18-21/h14,21H,4-13H2,1-3H3,(H2,17,18).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide?
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide has a molecular weight of 299.46 g/mol, XLogP of 3.36, 12 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)-N-(2-methylpropyl)nonanamide is sourced from PubChem (CID 77069051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).