ethane;3-(propan-2-ylideneamino)oxy-N-propylpropanamide

C13H30N2O2 — CID 145076855

IUPACethane;3-(propan-2-ylideneamino)oxy-N-propylpropanamide
SMILESCC.CC.CCCNC(=O)CCON=C(C)C
InChIInChI=1S/C9H18N2O2.2C2H6/c1-4-6-10-9(12)5-7-13-11-8(2)3;2*1-2/h4-7H2,1-3H3,(H,10,12);2*1-2H3
InChIKeyGPEQDJVYRKYHNA-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.37
Rot. Bonds6

About ethane;3-(propan-2-ylideneamino)oxy-N-propylpropanamide

ethane;3-(propan-2-ylideneamino)oxy-N-propylpropanamide (PubChem CID 145076855) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is ethane;3-(propan-2-ylideneamino)oxy-N-propylpropanamide.

Molecular Properties

Compound Nameethane;3-(propan-2-ylideneamino)oxy-N-propylpropanamide
PubChem CID145076855
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Nameethane;3-(propan-2-ylideneamino)oxy-N-propylpropanamide
SMILESCC.CC.CCCNC(=O)CCON=C(C)C
InChIInChI=1S/C9H18N2O2.2C2H6/c1-4-6-10-9(12)5-7-13-11-8(2)3;2*1-2/h4-7H2,1-3H3,(H,10,12);2*1-2H3
InChIKeyGPEQDJVYRKYHNA-UHFFFAOYSA-N
XLogP3.37
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.37
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;4-(propan-2-ylideneamino)oxy-N-propylbutanamide
CID 145077051
ethane;N-pentyl-3-(propan-2-ylideneamino)oxypropanamide
CID 145076834
3-[2-[2-[[2-(propan-2-ylideneamino)oxyacetyl]amino]ethoxy]ethoxy]-N-propylpropanamide
CID 176948727
ethane;3-(pentan-3-ylideneamino)oxy-N-pentylpropanamide
CID 145076515
ethane;3-propoxy-N-propylpropanamide
CID 163269237
3-(2-propoxyethoxy)-N-propylpropanamide
CID 163586322
3-bromo-N-propylpropanamide
CID 12680973
ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen
CID 142390095
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide
CID 176761961
3-[2-(ethylamino)ethoxy]-N-propylpropanamide
CID 171508192
N,N'-dipropyldecanediamide
CID 102239298
ethane;6-(pentan-3-ylideneamino)oxy-N-pentylhexanamide
CID 145076852

Frequently Asked Questions

What is the IUPAC name of ethane;3-(propan-2-ylideneamino)oxy-N-propylpropanamide?
The IUPAC name of ethane;3-(propan-2-ylideneamino)oxy-N-propylpropanamide (CID 145076855) is ethane;3-(propan-2-ylideneamino)oxy-N-propylpropanamide.
What is the SMILES notation for ethane;3-(propan-2-ylideneamino)oxy-N-propylpropanamide?
The canonical SMILES for ethane;3-(propan-2-ylideneamino)oxy-N-propylpropanamide is CC.CC.CCCNC(=O)CCON=C(C)C.
What is the InChIKey of ethane;3-(propan-2-ylideneamino)oxy-N-propylpropanamide?
The InChIKey is GPEQDJVYRKYHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.2C2H6/c1-4-6-10-9(12)5-7-13-11-8(2)3;2*1-2/h4-7H2,1-3H3,(H,10,12);2*1-2H3.
What are the key properties of ethane;3-(propan-2-ylideneamino)oxy-N-propylpropanamide?
ethane;3-(propan-2-ylideneamino)oxy-N-propylpropanamide has a molecular weight of 246.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(propan-2-ylideneamino)oxy-N-propylpropanamide is sourced from PubChem (CID 145076855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).