N-[(Z)-4-propyloctan-3-ylideneamino]acetamide

C13H26N2O — CID 166839418

IUPACN-[(Z)-4-propyloctan-3-ylideneamino]acetamide
SMILESCCCCC(CCC)/C(CC)=N\NC(C)=O
InChIInChI=1S/C13H26N2O/c1-5-8-10-12(9-6-2)13(7-3)15-14-11(4)16/h12H,5-10H2,1-4H3,(H,14,16)/b15-13-
InChIKeyUULUUZDGDMHLIG-SQFISAMPSA-N
MW226.36 g/mol
LogP3.49
Rot. Bonds8

About N-[(Z)-4-propyloctan-3-ylideneamino]acetamide

N-[(Z)-4-propyloctan-3-ylideneamino]acetamide (PubChem CID 166839418) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[(Z)-4-propyloctan-3-ylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-4-propyloctan-3-ylideneamino]acetamide
PubChem CID166839418
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[(Z)-4-propyloctan-3-ylideneamino]acetamide
SMILESCCCCC(CCC)/C(CC)=N\NC(C)=O
InChIInChI=1S/C13H26N2O/c1-5-8-10-12(9-6-2)13(7-3)15-14-11(4)16/h12H,5-10H2,1-4H3,(H,14,16)/b15-13-
InChIKeyUULUUZDGDMHLIG-SQFISAMPSA-N
XLogP3.49
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-propyloctan-3-ylideneamino]acetamide?
The IUPAC name of N-[(Z)-4-propyloctan-3-ylideneamino]acetamide (CID 166839418) is N-[(Z)-4-propyloctan-3-ylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-4-propyloctan-3-ylideneamino]acetamide?
The canonical SMILES for N-[(Z)-4-propyloctan-3-ylideneamino]acetamide is CCCCC(CCC)/C(CC)=N\NC(C)=O.
What is the InChIKey of N-[(Z)-4-propyloctan-3-ylideneamino]acetamide?
The InChIKey is UULUUZDGDMHLIG-SQFISAMPSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-8-10-12(9-6-2)13(7-3)15-14-11(4)16/h12H,5-10H2,1-4H3,(H,14,16)/b15-13-.
What are the key properties of N-[(Z)-4-propyloctan-3-ylideneamino]acetamide?
N-[(Z)-4-propyloctan-3-ylideneamino]acetamide has a molecular weight of 226.36 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-propyloctan-3-ylideneamino]acetamide is sourced from PubChem (CID 166839418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).