N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yloctanamide

C13H27N3O2 — CID 77044667

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yloctanamide
SMILESCCCCCCCC(=O)N(CC(N)=NO)C(C)C
InChIInChI=1S/C13H27N3O2/c1-4-5-6-7-8-9-13(17)16(11(2)3)10-12(14)15-18/h11,18H,4-10H2,1-3H3,(H2,14,15)
InChIKeyISWKABUBCWQPJP-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.33
Rot. Bonds9

About N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yloctanamide

N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yloctanamide (PubChem CID 77044667) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yloctanamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yloctanamide
PubChem CID77044667
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yloctanamide
SMILESCCCCCCCC(=O)N(CC(N)=NO)C(C)C
InChIInChI=1S/C13H27N3O2/c1-4-5-6-7-8-9-13(17)16(11(2)3)10-12(14)15-18/h11,18H,4-10H2,1-3H3,(H2,14,15)
InChIKeyISWKABUBCWQPJP-UHFFFAOYSA-N
XLogP2.33
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide
CID 77069041
N-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide
CID 77069052
N-(13-amino-13-hydroxyiminotridec-5-enyl)-N-propan-2-ylheptanamide
CID 123690894
N-(2-amino-2-hydroxyiminoethyl)-N-ethylnonanamide
CID 77069069
1-(2-amino-2-hydroxyiminoethyl)-3-butyl-1-propan-2-ylurea
CID 77038065
N-(2-amino-2-oxoethyl)-N-hexadecanoylhexadecanamide
CID 87387008
N-(2-amino-2-hydroxyiminoethyl)-2-methylsulfanyl-N-propan-2-ylacetamide
CID 77038056
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide
CID 77069051
N-(3-amino-3-hydroxyiminopropyl)-N-methylnonanamide
CID 77069088
N-(2-amino-2-oxoethyl)-5-chloro-N-propan-2-ylpentanamide
CID 43578807
N-(2-bromoethyl)-N-propan-2-ylnonanamide
CID 80665371
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide
CID 54992414

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yloctanamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yloctanamide (CID 77044667) is N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yloctanamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yloctanamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yloctanamide is CCCCCCCC(=O)N(CC(N)=NO)C(C)C.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yloctanamide?
The InChIKey is ISWKABUBCWQPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-5-6-7-8-9-13(17)16(11(2)3)10-12(14)15-18/h11,18H,4-10H2,1-3H3,(H2,14,15).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yloctanamide?
N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yloctanamide has a molecular weight of 257.38 g/mol, XLogP of 2.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yloctanamide is sourced from PubChem (CID 77044667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).