2-[3-(3-hydroxypropoxy)propoxy]-N-propan-2-ylacetamide

C11H23NO4 — CID 146521578

IUPAC2-[3-(3-hydroxypropoxy)propoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COCCCOCCCO
InChIInChI=1S/C11H23NO4/c1-10(2)12-11(14)9-16-8-4-7-15-6-3-5-13/h10,13H,3-9H2,1-2H3,(H,12,14)
InChIKeyPOBVQFJEBCTZAM-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.32
Rot. Bonds10

About 2-[3-(3-hydroxypropoxy)propoxy]-N-propan-2-ylacetamide

2-[3-(3-hydroxypropoxy)propoxy]-N-propan-2-ylacetamide (PubChem CID 146521578) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[3-(3-hydroxypropoxy)propoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(3-hydroxypropoxy)propoxy]-N-propan-2-ylacetamide
PubChem CID146521578
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name2-[3-(3-hydroxypropoxy)propoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COCCCOCCCO
InChIInChI=1S/C11H23NO4/c1-10(2)12-11(14)9-16-8-4-7-15-6-3-5-13/h10,13H,3-9H2,1-2H3,(H,12,14)
InChIKeyPOBVQFJEBCTZAM-UHFFFAOYSA-N
XLogP0.32
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide
CID 166950643
2-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide
CID 138726748
2-[2-(4-methyl-2-oxopentoxy)ethoxy]-N-propan-2-ylacetamide
CID 163605057
ethane;N-propan-2-yl-2-propan-2-yloxyacetamide
CID 167679831
3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 15061564
3-(2-butoxyethoxy)-N-propan-2-ylpropanamide
CID 154677786
2-[2-(3-methoxypropoxy)ethoxy]-N-methylacetamide
CID 134579961
4-[3-(3-hydroxypropoxy)propoxy]-2-methylbutanoic acid
CID 58617990
N-propan-2-yl-2-[(2-propoxyacetyl)amino]propanamide
CID 107941779
2-decoxy-N-(1-hydroxyethyl)acetamide
CID 88812152
N-(3-methylbutan-2-yl)-2-[2-(propan-2-ylamino)ethoxy]acetamide
CID 62341645
2-[2-(2-hydroxyethoxy)ethoxy]-N-methylacetamide
CID 142368848

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-hydroxypropoxy)propoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-(3-hydroxypropoxy)propoxy]-N-propan-2-ylacetamide (CID 146521578) is 2-[3-(3-hydroxypropoxy)propoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-(3-hydroxypropoxy)propoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-(3-hydroxypropoxy)propoxy]-N-propan-2-ylacetamide is CC(C)NC(=O)COCCCOCCCO.
What is the InChIKey of 2-[3-(3-hydroxypropoxy)propoxy]-N-propan-2-ylacetamide?
The InChIKey is POBVQFJEBCTZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-10(2)12-11(14)9-16-8-4-7-15-6-3-5-13/h10,13H,3-9H2,1-2H3,(H,12,14).
What are the key properties of 2-[3-(3-hydroxypropoxy)propoxy]-N-propan-2-ylacetamide?
2-[3-(3-hydroxypropoxy)propoxy]-N-propan-2-ylacetamide has a molecular weight of 233.31 g/mol, XLogP of 0.32, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-hydroxypropoxy)propoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 146521578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).