N-(5-amino-5-hydroxyiminopentyl)octanamide

C13H27N3O2 — CID 77036923

IUPACN-(5-amino-5-hydroxyiminopentyl)octanamide
SMILESCCCCCCCC(=O)NCCCCC(N)=NO
InChIInChI=1S/C13H27N3O2/c1-2-3-4-5-6-10-13(17)15-11-8-7-9-12(14)16-18/h18H,2-11H2,1H3,(H2,14,16)(H,15,17)
InChIKeySFEAATCCANFVKM-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.38
Rot. Bonds11

About N-(5-amino-5-hydroxyiminopentyl)octanamide

N-(5-amino-5-hydroxyiminopentyl)octanamide (PubChem CID 77036923) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(5-amino-5-hydroxyiminopentyl)octanamide.

Molecular Properties

Compound NameN-(5-amino-5-hydroxyiminopentyl)octanamide
PubChem CID77036923
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-(5-amino-5-hydroxyiminopentyl)octanamide
SMILESCCCCCCCC(=O)NCCCCC(N)=NO
InChIInChI=1S/C13H27N3O2/c1-2-3-4-5-6-10-13(17)15-11-8-7-9-12(14)16-18/h18H,2-11H2,1H3,(H2,14,16)(H,15,17)
InChIKeySFEAATCCANFVKM-UHFFFAOYSA-N
XLogP2.38
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.38
H-Bond Donors ≤ 53
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'-docosyldocosanediamide
CID 91257562
hexadecanamide;N-octadecyloctadecanamide
CID 174792473
N'-octylhexanediamide
CID 18377759
22-(docosanoylamino)docosanamide
CID 90926402
N-hexadecylhexanamide
CID 4953738
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-hydroxyiminopentyl)octanamide?
The IUPAC name of N-(5-amino-5-hydroxyiminopentyl)octanamide (CID 77036923) is N-(5-amino-5-hydroxyiminopentyl)octanamide.
What is the SMILES notation for N-(5-amino-5-hydroxyiminopentyl)octanamide?
The canonical SMILES for N-(5-amino-5-hydroxyiminopentyl)octanamide is CCCCCCCC(=O)NCCCCC(N)=NO.
What is the InChIKey of N-(5-amino-5-hydroxyiminopentyl)octanamide?
The InChIKey is SFEAATCCANFVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-2-3-4-5-6-10-13(17)15-11-8-7-9-12(14)16-18/h18H,2-11H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of N-(5-amino-5-hydroxyiminopentyl)octanamide?
N-(5-amino-5-hydroxyiminopentyl)octanamide has a molecular weight of 257.38 g/mol, XLogP of 2.38, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-hydroxyiminopentyl)octanamide is sourced from PubChem (CID 77036923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).