N-[2-(2,3-dihydroxypropoxy)-3-methoxypropyl]-N-propan-2-ylacetamide

C12H25NO5 — CID 59873974

IUPACN-[2-(2,3-dihydroxypropoxy)-3-methoxypropyl]-N-propan-2-ylacetamide
SMILESCOCC(CN(C(C)=O)C(C)C)OCC(O)CO
InChIInChI=1S/C12H25NO5/c1-9(2)13(10(3)15)5-12(8-17-4)18-7-11(16)6-14/h9,11-12,14,16H,5-8H2,1-4H3
InChIKeyRVZUZUVHVRUYRE-UHFFFAOYSA-N
MW263.33 g/mol
LogP-0.37
Rot. Bonds9

About N-[2-(2,3-dihydroxypropoxy)-3-methoxypropyl]-N-propan-2-ylacetamide

N-[2-(2,3-dihydroxypropoxy)-3-methoxypropyl]-N-propan-2-ylacetamide (PubChem CID 59873974) has the molecular formula C12H25NO5 and a molecular weight of 263.33 g/mol. Its IUPAC name is N-[2-(2,3-dihydroxypropoxy)-3-methoxypropyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroxypropoxy)-3-methoxypropyl]-N-propan-2-ylacetamide
PubChem CID59873974
Molecular FormulaC12H25NO5
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC NameN-[2-(2,3-dihydroxypropoxy)-3-methoxypropyl]-N-propan-2-ylacetamide
SMILESCOCC(CN(C(C)=O)C(C)C)OCC(O)CO
InChIInChI=1S/C12H25NO5/c1-9(2)13(10(3)15)5-12(8-17-4)18-7-11(16)6-14/h9,11-12,14,16H,5-8H2,1-4H3
InChIKeyRVZUZUVHVRUYRE-UHFFFAOYSA-N
XLogP-0.37
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroxypropoxy)-3-methoxypropyl]-N-propan-2-ylacetamide?
The IUPAC name of N-[2-(2,3-dihydroxypropoxy)-3-methoxypropyl]-N-propan-2-ylacetamide (CID 59873974) is N-[2-(2,3-dihydroxypropoxy)-3-methoxypropyl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[2-(2,3-dihydroxypropoxy)-3-methoxypropyl]-N-propan-2-ylacetamide?
The canonical SMILES for N-[2-(2,3-dihydroxypropoxy)-3-methoxypropyl]-N-propan-2-ylacetamide is COCC(CN(C(C)=O)C(C)C)OCC(O)CO.
What is the InChIKey of N-[2-(2,3-dihydroxypropoxy)-3-methoxypropyl]-N-propan-2-ylacetamide?
The InChIKey is RVZUZUVHVRUYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO5/c1-9(2)13(10(3)15)5-12(8-17-4)18-7-11(16)6-14/h9,11-12,14,16H,5-8H2,1-4H3.
What are the key properties of N-[2-(2,3-dihydroxypropoxy)-3-methoxypropyl]-N-propan-2-ylacetamide?
N-[2-(2,3-dihydroxypropoxy)-3-methoxypropyl]-N-propan-2-ylacetamide has a molecular weight of 263.33 g/mol, XLogP of -0.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroxypropoxy)-3-methoxypropyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 59873974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).