N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide

C13H27N3O2 — CID 54992414

IUPACN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide
SMILESCCCCCCCC(=O)N(CC)CC/C(N)=N/O
InChIInChI=1S/C13H27N3O2/c1-3-5-6-7-8-9-13(17)16(4-2)11-10-12(14)15-18/h18H,3-11H2,1-2H3,(H2,14,15)
InChIKeyJQWGNBRQNLFOPF-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.33
Rot. Bonds10

About N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide (PubChem CID 54992414) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide
PubChem CID54992414
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide
SMILESCCCCCCCC(=O)N(CC)CC/C(N)=N/O
InChIInChI=1S/C13H27N3O2/c1-3-5-6-7-8-9-13(17)16(4-2)11-10-12(14)15-18/h18H,3-11H2,1-2H3,(H2,14,15)
InChIKeyJQWGNBRQNLFOPF-UHFFFAOYSA-N
XLogP2.33
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.33
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-ethylnonanamide
CID 77069069
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide
CID 77069051
N-(3-amino-3-hydroxyiminopropyl)-N-methylnonanamide
CID 77069088
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide
CID 77069041
N-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide
CID 76946924
N-(3-aminopropyl)-N-ethyldecanamide
CID 65447961
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methylpentanamide
CID 104982299
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylsulfonylacetamide
CID 77015086
N-ethyl-N-(3-hydroxypropyl)decanamide
CID 115771581
N-ethyl-N-(3-hydroxypropyl)heptanamide
CID 115771582
N,N-diethyloctadecanamide;propan-1-amine;hydrobromide
CID 174816877
N-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide
CID 77069052

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide (CID 54992414) is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide is CCCCCCCC(=O)N(CC)CC/C(N)=N/O.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide?
The InChIKey is JQWGNBRQNLFOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-3-5-6-7-8-9-13(17)16(4-2)11-10-12(14)15-18/h18H,3-11H2,1-2H3,(H2,14,15).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide?
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide has a molecular weight of 257.38 g/mol, XLogP of 2.33, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide is sourced from PubChem (CID 54992414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).