ethane;N-pentyl-3-(propan-2-ylideneamino)oxypropanamide

C15H34N2O2 — CID 145076834

IUPACethane;N-pentyl-3-(propan-2-ylideneamino)oxypropanamide
SMILESCC.CC.CCCCCNC(=O)CCON=C(C)C
InChIInChI=1S/C11H22N2O2.2C2H6/c1-4-5-6-8-12-11(14)7-9-15-13-10(2)3;2*1-2/h4-9H2,1-3H3,(H,12,14);2*1-2H3
InChIKeyZDVBLNRDUBRNIX-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.15
Rot. Bonds8

About ethane;N-pentyl-3-(propan-2-ylideneamino)oxypropanamide

ethane;N-pentyl-3-(propan-2-ylideneamino)oxypropanamide (PubChem CID 145076834) has the molecular formula C15H34N2O2 and a molecular weight of 274.45 g/mol. Its IUPAC name is ethane;N-pentyl-3-(propan-2-ylideneamino)oxypropanamide.

Molecular Properties

Compound Nameethane;N-pentyl-3-(propan-2-ylideneamino)oxypropanamide
PubChem CID145076834
Molecular FormulaC15H34N2O2
Molecular Weight274.45 g/mol
Exact Mass274.26
IUPAC Nameethane;N-pentyl-3-(propan-2-ylideneamino)oxypropanamide
SMILESCC.CC.CCCCCNC(=O)CCON=C(C)C
InChIInChI=1S/C11H22N2O2.2C2H6/c1-4-5-6-8-12-11(14)7-9-15-13-10(2)3;2*1-2/h4-9H2,1-3H3,(H,12,14);2*1-2H3
InChIKeyZDVBLNRDUBRNIX-UHFFFAOYSA-N
XLogP4.15
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;3-(propan-2-ylideneamino)oxy-N-propylpropanamide
CID 145076855
ethane;3-(pentan-3-ylideneamino)oxy-N-pentylpropanamide
CID 145076515
ethane;4-(propan-2-ylideneamino)oxy-N-propylbutanamide
CID 145077051
ethane;6-(pentan-3-ylideneamino)oxy-N-pentylhexanamide
CID 145076852
methane;3-methoxy-N-pentylpropanamide
CID 157319265
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N'-heptyl-N-hexylpentanediamide
CID 154688673
ethane;N-octylhexanamide
CID 177149935
[3-oxo-3-(pentylamino)propyl] formate
CID 58262423
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069

Frequently Asked Questions

What is the IUPAC name of ethane;N-pentyl-3-(propan-2-ylideneamino)oxypropanamide?
The IUPAC name of ethane;N-pentyl-3-(propan-2-ylideneamino)oxypropanamide (CID 145076834) is ethane;N-pentyl-3-(propan-2-ylideneamino)oxypropanamide.
What is the SMILES notation for ethane;N-pentyl-3-(propan-2-ylideneamino)oxypropanamide?
The canonical SMILES for ethane;N-pentyl-3-(propan-2-ylideneamino)oxypropanamide is CC.CC.CCCCCNC(=O)CCON=C(C)C.
What is the InChIKey of ethane;N-pentyl-3-(propan-2-ylideneamino)oxypropanamide?
The InChIKey is ZDVBLNRDUBRNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.2C2H6/c1-4-5-6-8-12-11(14)7-9-15-13-10(2)3;2*1-2/h4-9H2,1-3H3,(H,12,14);2*1-2H3.
What are the key properties of ethane;N-pentyl-3-(propan-2-ylideneamino)oxypropanamide?
ethane;N-pentyl-3-(propan-2-ylideneamino)oxypropanamide has a molecular weight of 274.45 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-pentyl-3-(propan-2-ylideneamino)oxypropanamide is sourced from PubChem (CID 145076834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).