3-[2-[2-[[2-(propan-2-ylideneamino)oxyacetyl]amino]ethoxy]ethoxy]-N-propylpropanamide

C15H29N3O5 — CID 176948727

IUPAC3-[2-[2-[[2-(propan-2-ylideneamino)oxyacetyl]amino]ethoxy]ethoxy]-N-propylpropanamide
SMILESCCCNC(=O)CCOCCOCCNC(=O)CON=C(C)C
InChIInChI=1S/C15H29N3O5/c1-4-6-16-14(19)5-8-21-10-11-22-9-7-17-15(20)12-23-18-13(2)3/h4-12H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyDSUPHQTUIOENKJ-UHFFFAOYSA-N
MW331.41 g/mol
LogP0.46
Rot. Bonds14

About 3-[2-[2-[[2-(propan-2-ylideneamino)oxyacetyl]amino]ethoxy]ethoxy]-N-propylpropanamide

3-[2-[2-[[2-(propan-2-ylideneamino)oxyacetyl]amino]ethoxy]ethoxy]-N-propylpropanamide (PubChem CID 176948727) has the molecular formula C15H29N3O5 and a molecular weight of 331.41 g/mol. Its IUPAC name is 3-[2-[2-[[2-(propan-2-ylideneamino)oxyacetyl]amino]ethoxy]ethoxy]-N-propylpropanamide.

Molecular Properties

Compound Name3-[2-[2-[[2-(propan-2-ylideneamino)oxyacetyl]amino]ethoxy]ethoxy]-N-propylpropanamide
PubChem CID176948727
Molecular FormulaC15H29N3O5
Molecular Weight331.41 g/mol
Exact Mass331.21
IUPAC Name3-[2-[2-[[2-(propan-2-ylideneamino)oxyacetyl]amino]ethoxy]ethoxy]-N-propylpropanamide
SMILESCCCNC(=O)CCOCCOCCNC(=O)CON=C(C)C
InChIInChI=1S/C15H29N3O5/c1-4-6-16-14(19)5-8-21-10-11-22-9-7-17-15(20)12-23-18-13(2)3/h4-12H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyDSUPHQTUIOENKJ-UHFFFAOYSA-N
XLogP0.46
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
3-(2-propoxyethoxy)-N-propylpropanamide
CID 163586322
ethane;4-(propan-2-ylideneamino)oxy-N-propylbutanamide
CID 145077051
ethane;3-propoxy-N-propylpropanamide
CID 163269237
3-[2-(ethylamino)ethoxy]-N-propylpropanamide
CID 171508192
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide
CID 176761961
3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide
CID 142430015
ethane;N-pentyl-3-(propan-2-ylideneamino)oxypropanamide
CID 145076834
molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide
CID 176953270
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
2-(2-propoxyethoxy)-N-propylacetamide
CID 149463198
N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
CID 167117369

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[[2-(propan-2-ylideneamino)oxyacetyl]amino]ethoxy]ethoxy]-N-propylpropanamide?
The IUPAC name of 3-[2-[2-[[2-(propan-2-ylideneamino)oxyacetyl]amino]ethoxy]ethoxy]-N-propylpropanamide (CID 176948727) is 3-[2-[2-[[2-(propan-2-ylideneamino)oxyacetyl]amino]ethoxy]ethoxy]-N-propylpropanamide.
What is the SMILES notation for 3-[2-[2-[[2-(propan-2-ylideneamino)oxyacetyl]amino]ethoxy]ethoxy]-N-propylpropanamide?
The canonical SMILES for 3-[2-[2-[[2-(propan-2-ylideneamino)oxyacetyl]amino]ethoxy]ethoxy]-N-propylpropanamide is CCCNC(=O)CCOCCOCCNC(=O)CON=C(C)C.
What is the InChIKey of 3-[2-[2-[[2-(propan-2-ylideneamino)oxyacetyl]amino]ethoxy]ethoxy]-N-propylpropanamide?
The InChIKey is DSUPHQTUIOENKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O5/c1-4-6-16-14(19)5-8-21-10-11-22-9-7-17-15(20)12-23-18-13(2)3/h4-12H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of 3-[2-[2-[[2-(propan-2-ylideneamino)oxyacetyl]amino]ethoxy]ethoxy]-N-propylpropanamide?
3-[2-[2-[[2-(propan-2-ylideneamino)oxyacetyl]amino]ethoxy]ethoxy]-N-propylpropanamide has a molecular weight of 331.41 g/mol, XLogP of 0.46, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[[2-(propan-2-ylideneamino)oxyacetyl]amino]ethoxy]ethoxy]-N-propylpropanamide is sourced from PubChem (CID 176948727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).