(3Z)-3-amino-3-hydroxyimino-N-pentylpropanamide

C8H17N3O2 — CID 43156042

IUPAC(3Z)-3-amino-3-hydroxyimino-N-pentylpropanamide
SMILESCCCCCNC(=O)C/C(N)=N/O
InChIInChI=1S/C8H17N3O2/c1-2-3-4-5-10-8(12)6-7(9)11-13/h13H,2-6H2,1H3,(H2,9,11)(H,10,12)
InChIKeyHYTXIYXIPGIZFK-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.43
Rot. Bonds6

About (3Z)-3-amino-3-hydroxyimino-N-pentylpropanamide

(3Z)-3-amino-3-hydroxyimino-N-pentylpropanamide (PubChem CID 43156042) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-pentylpropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-pentylpropanamide
PubChem CID43156042
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-pentylpropanamide
SMILESCCCCCNC(=O)C/C(N)=N/O
InChIInChI=1S/C8H17N3O2/c1-2-3-4-5-10-8(12)6-7(9)11-13/h13H,2-6H2,1H3,(H2,9,11)(H,10,12)
InChIKeyHYTXIYXIPGIZFK-UHFFFAOYSA-N
XLogP0.43
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.43
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-(5-amino-5-hydroxyiminopentyl)octanamide
CID 77036923
3-amino-3-hydroxyimino-N-(3-methylsulfanylpropyl)propanamide
CID 76996569
N-butyl-N'-pentylpropanediamide
CID 89202031
3-amino-3-hydroxyimino-N-(3-sulfamoylpropyl)propanamide
CID 76927870
2-(diaminomethylideneamino)-N-octylacetamide
CID 126489035
N'-docosyldocosanediamide
CID 91257562
N'-icosylbutanediamide
CID 175408923
N'-dodecylbutanediamide
CID 19973702
hexadecanamide;N-octadecyloctadecanamide
CID 174792473
N'-octylhexanediamide
CID 18377759
22-(docosanoylamino)docosanamide
CID 90926402
N-(2-amino-2-hydroxyiminoethyl)nonanamide
CID 77069137

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-pentylpropanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-pentylpropanamide (CID 43156042) is (3Z)-3-amino-3-hydroxyimino-N-pentylpropanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-pentylpropanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-pentylpropanamide is CCCCCNC(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-pentylpropanamide?
The InChIKey is HYTXIYXIPGIZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-2-3-4-5-10-8(12)6-7(9)11-13/h13H,2-6H2,1H3,(H2,9,11)(H,10,12).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-pentylpropanamide?
(3Z)-3-amino-3-hydroxyimino-N-pentylpropanamide has a molecular weight of 187.24 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N-pentylpropanamide is sourced from PubChem (CID 43156042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).