ethane;3-(pentan-3-ylideneamino)oxy-N-pentylpropanamide

C21H50N2O2 — CID 145076515

IUPACethane;3-(pentan-3-ylideneamino)oxy-N-pentylpropanamide
SMILESCC.CC.CC.CC.CCCCCNC(=O)CCON=C(CC)CC
InChIInChI=1S/C13H26N2O2.4C2H6/c1-4-7-8-10-14-13(16)9-11-17-15-12(5-2)6-3;4*1-2/h4-11H2,1-3H3,(H,14,16);4*1-2H3
InChIKeyHLUVRPNFPBWSRL-UHFFFAOYSA-N
MW362.64 g/mol
LogP6.98
Rot. Bonds10

About ethane;3-(pentan-3-ylideneamino)oxy-N-pentylpropanamide

ethane;3-(pentan-3-ylideneamino)oxy-N-pentylpropanamide (PubChem CID 145076515) has the molecular formula C21H50N2O2 and a molecular weight of 362.64 g/mol. Its IUPAC name is ethane;3-(pentan-3-ylideneamino)oxy-N-pentylpropanamide.

Molecular Properties

Compound Nameethane;3-(pentan-3-ylideneamino)oxy-N-pentylpropanamide
PubChem CID145076515
Molecular FormulaC21H50N2O2
Molecular Weight362.64 g/mol
Exact Mass362.39
IUPAC Nameethane;3-(pentan-3-ylideneamino)oxy-N-pentylpropanamide
SMILESCC.CC.CC.CC.CCCCCNC(=O)CCON=C(CC)CC
InChIInChI=1S/C13H26N2O2.4C2H6/c1-4-7-8-10-14-13(16)9-11-17-15-12(5-2)6-3;4*1-2/h4-11H2,1-3H3,(H,14,16);4*1-2H3
InChIKeyHLUVRPNFPBWSRL-UHFFFAOYSA-N
XLogP6.98
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.64
LogP ≤ 56.98
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'}

Analyze ethane;3-(pentan-3-ylideneamino)oxy-N-pentylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;6-(pentan-3-ylideneamino)oxy-N-pentylhexanamide
CID 145076852
ethane;N-pentyl-3-(propan-2-ylideneamino)oxypropanamide
CID 145076834
methane;3-methoxy-N-pentylpropanamide
CID 157319265
ethane;3-(propan-2-ylideneamino)oxy-N-propylpropanamide
CID 145076855
ethane;N'-heptyl-N-hexylpentanediamide
CID 154688673
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
ethane;N-pentyl-6-(propanoylamino)hexanamide
CID 166555695
[3-oxo-3-(pentylamino)propyl] formate
CID 58262423
ethane;N-undecylpropanamide
CID 155706114
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-dodecylhexanamide
CID 3362981

Frequently Asked Questions

What is the IUPAC name of ethane;3-(pentan-3-ylideneamino)oxy-N-pentylpropanamide?
The IUPAC name of ethane;3-(pentan-3-ylideneamino)oxy-N-pentylpropanamide (CID 145076515) is ethane;3-(pentan-3-ylideneamino)oxy-N-pentylpropanamide.
What is the SMILES notation for ethane;3-(pentan-3-ylideneamino)oxy-N-pentylpropanamide?
The canonical SMILES for ethane;3-(pentan-3-ylideneamino)oxy-N-pentylpropanamide is CC.CC.CC.CC.CCCCCNC(=O)CCON=C(CC)CC.
What is the InChIKey of ethane;3-(pentan-3-ylideneamino)oxy-N-pentylpropanamide?
The InChIKey is HLUVRPNFPBWSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.4C2H6/c1-4-7-8-10-14-13(16)9-11-17-15-12(5-2)6-3;4*1-2/h4-11H2,1-3H3,(H,14,16);4*1-2H3.
What are the key properties of ethane;3-(pentan-3-ylideneamino)oxy-N-pentylpropanamide?
ethane;3-(pentan-3-ylideneamino)oxy-N-pentylpropanamide has a molecular weight of 362.64 g/mol, XLogP of 6.98, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(pentan-3-ylideneamino)oxy-N-pentylpropanamide is sourced from PubChem (CID 145076515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).