3-oxo-N-[1-(1-propoxypropan-2-yloxy)propan-2-yl]butanamide

C13H25NO4 — CID 158039615

IUPAC3-oxo-N-[1-(1-propoxypropan-2-yloxy)propan-2-yl]butanamide
SMILESCCCOCC(C)OCC(C)NC(=O)CC(C)=O
InChIInChI=1S/C13H25NO4/c1-5-6-17-9-12(4)18-8-10(2)14-13(16)7-11(3)15/h10,12H,5-9H2,1-4H3,(H,14,16)
InChIKeySEUGEHUEHHFPMD-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.30
Rot. Bonds10

About 3-oxo-N-[1-(1-propoxypropan-2-yloxy)propan-2-yl]butanamide

3-oxo-N-[1-(1-propoxypropan-2-yloxy)propan-2-yl]butanamide (PubChem CID 158039615) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-oxo-N-[1-(1-propoxypropan-2-yloxy)propan-2-yl]butanamide.

Molecular Properties

Compound Name3-oxo-N-[1-(1-propoxypropan-2-yloxy)propan-2-yl]butanamide
PubChem CID158039615
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name3-oxo-N-[1-(1-propoxypropan-2-yloxy)propan-2-yl]butanamide
SMILESCCCOCC(C)OCC(C)NC(=O)CC(C)=O
InChIInChI=1S/C13H25NO4/c1-5-6-17-9-12(4)18-8-10(2)14-13(16)7-11(3)15/h10,12H,5-9H2,1-4H3,(H,14,16)
InChIKeySEUGEHUEHHFPMD-UHFFFAOYSA-N
XLogP1.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-oxo-N-[1-(1-propoxypropan-2-yloxy)propan-2-yl]butanamide 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

1-[1-[2-[2-(carboxyamino)propoxy]ethoxy]propan-2-yloxy]propan-2-ylcarbamic acid
CID 169042173
2-[1-(1-decoxypropan-2-yloxy)propan-2-ylamino]acetic acid
CID 71410059
2-(1-propoxypropan-2-yloxy)ethanol
CID 59676189
1-(1-propoxypropan-2-yloxy)propan-2-yl dihydrogen phosphate
CID 139834702
3-(3-propoxypropanoylamino)butanoic acid
CID 62686783
1-(1-propoxypropan-2-yloxy)propan-2-yl prop-2-enoate
CID 20554752
2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
CID 87065837
ethyl 3-(1-ethoxypropan-2-yloxy)-2-(methylamino)propanoate
CID 103489818
1-(1-propoxypropan-2-yloxy)pentane
CID 154093458
2-chloro-N-[1-[2-[(2-chloroacetyl)amino]propoxy]propan-2-yl]acetamide
CID 162712779
1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 57074955
2-hydroxybutanedioic acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 87459126

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[1-(1-propoxypropan-2-yloxy)propan-2-yl]butanamide?
The IUPAC name of 3-oxo-N-[1-(1-propoxypropan-2-yloxy)propan-2-yl]butanamide (CID 158039615) is 3-oxo-N-[1-(1-propoxypropan-2-yloxy)propan-2-yl]butanamide.
What is the SMILES notation for 3-oxo-N-[1-(1-propoxypropan-2-yloxy)propan-2-yl]butanamide?
The canonical SMILES for 3-oxo-N-[1-(1-propoxypropan-2-yloxy)propan-2-yl]butanamide is CCCOCC(C)OCC(C)NC(=O)CC(C)=O.
What is the InChIKey of 3-oxo-N-[1-(1-propoxypropan-2-yloxy)propan-2-yl]butanamide?
The InChIKey is SEUGEHUEHHFPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-5-6-17-9-12(4)18-8-10(2)14-13(16)7-11(3)15/h10,12H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 3-oxo-N-[1-(1-propoxypropan-2-yloxy)propan-2-yl]butanamide?
3-oxo-N-[1-(1-propoxypropan-2-yloxy)propan-2-yl]butanamide has a molecular weight of 259.35 g/mol, XLogP of 1.30, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[1-(1-propoxypropan-2-yloxy)propan-2-yl]butanamide is sourced from PubChem (CID 158039615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).