N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide

C16H33N3O2 — CID 77069041

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide
SMILESCCCCCCCCCC(=O)N(CCC(N)=NO)C(C)C
InChIInChI=1S/C16H33N3O2/c1-4-5-6-7-8-9-10-11-16(20)19(14(2)3)13-12-15(17)18-21/h14,21H,4-13H2,1-3H3,(H2,17,18)
InChIKeyZIRNDKODPQGDPP-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.50
Rot. Bonds12

About N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide

N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide (PubChem CID 77069041) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide
PubChem CID77069041
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide
SMILESCCCCCCCCCC(=O)N(CCC(N)=NO)C(C)C
InChIInChI=1S/C16H33N3O2/c1-4-5-6-7-8-9-10-11-16(20)19(14(2)3)13-12-15(17)18-21/h14,21H,4-13H2,1-3H3,(H2,17,18)
InChIKeyZIRNDKODPQGDPP-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
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'}

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Related Compounds

N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yloctanamide
CID 77044667
N-(13-amino-13-hydroxyiminotridec-5-enyl)-N-propan-2-ylheptanamide
CID 123690894
N-(3-amino-3-hydroxyiminopropyl)-N-methylnonanamide
CID 77069088
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide
CID 77069051
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide
CID 54992414
N-(2-bromoethyl)-N-propan-2-ylnonanamide
CID 80665371
6-amino-N-propan-2-yl-N-propylhexanamide
CID 43269620
N-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide
CID 77069052
N'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide
CID 76997716
N-(2-amino-2-hydroxyiminoethyl)-N-ethylnonanamide
CID 77069069
N'-hydroxy-3-[methyl(octyl)amino]propanimidamide
CID 43129496
N-[2-(2-bromoethoxy)ethyl]-N-propan-2-yloctanamide
CID 114276370

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide (CID 77069041) is N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide is CCCCCCCCCC(=O)N(CCC(N)=NO)C(C)C.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide?
The InChIKey is ZIRNDKODPQGDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-4-5-6-7-8-9-10-11-16(20)19(14(2)3)13-12-15(17)18-21/h14,21H,4-13H2,1-3H3,(H2,17,18).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide?
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide has a molecular weight of 299.46 g/mol, XLogP of 3.50, 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-propan-2-yldecanamide is sourced from PubChem (CID 77069041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).