N-[2-hydroxy-2-(1-hydroxybutan-2-yloxy)-1-methoxyethyl]-2,2-dimethylpropanamide

C12H25NO5 — CID 130196013

IUPACN-[2-hydroxy-2-(1-hydroxybutan-2-yloxy)-1-methoxyethyl]-2,2-dimethylpropanamide
SMILESCCC(CO)OC(O)C(NC(=O)C(C)(C)C)OC
InChIInChI=1S/C12H25NO5/c1-6-8(7-14)18-10(15)9(17-5)13-11(16)12(2,3)4/h8-10,14-15H,6-7H2,1-5H3,(H,13,16)
InChIKeyOSBMVQXOQKMXMC-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.23
Rot. Bonds7

About N-[2-hydroxy-2-(1-hydroxybutan-2-yloxy)-1-methoxyethyl]-2,2-dimethylpropanamide

N-[2-hydroxy-2-(1-hydroxybutan-2-yloxy)-1-methoxyethyl]-2,2-dimethylpropanamide (PubChem CID 130196013) has the molecular formula C12H25NO5 and a molecular weight of 263.33 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-hydroxybutan-2-yloxy)-1-methoxyethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-hydroxybutan-2-yloxy)-1-methoxyethyl]-2,2-dimethylpropanamide
PubChem CID130196013
Molecular FormulaC12H25NO5
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC NameN-[2-hydroxy-2-(1-hydroxybutan-2-yloxy)-1-methoxyethyl]-2,2-dimethylpropanamide
SMILESCCC(CO)OC(O)C(NC(=O)C(C)(C)C)OC
InChIInChI=1S/C12H25NO5/c1-6-8(7-14)18-10(15)9(17-5)13-11(16)12(2,3)4/h8-10,14-15H,6-7H2,1-5H3,(H,13,16)
InChIKeyOSBMVQXOQKMXMC-UHFFFAOYSA-N
XLogP0.23
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-hydroxybutan-2-yloxy)-1-methoxyethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-hydroxy-2-(1-hydroxybutan-2-yloxy)-1-methoxyethyl]-2,2-dimethylpropanamide (CID 130196013) is N-[2-hydroxy-2-(1-hydroxybutan-2-yloxy)-1-methoxyethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-hydroxybutan-2-yloxy)-1-methoxyethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-hydroxy-2-(1-hydroxybutan-2-yloxy)-1-methoxyethyl]-2,2-dimethylpropanamide is CCC(CO)OC(O)C(NC(=O)C(C)(C)C)OC.
What is the InChIKey of N-[2-hydroxy-2-(1-hydroxybutan-2-yloxy)-1-methoxyethyl]-2,2-dimethylpropanamide?
The InChIKey is OSBMVQXOQKMXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO5/c1-6-8(7-14)18-10(15)9(17-5)13-11(16)12(2,3)4/h8-10,14-15H,6-7H2,1-5H3,(H,13,16).
What are the key properties of N-[2-hydroxy-2-(1-hydroxybutan-2-yloxy)-1-methoxyethyl]-2,2-dimethylpropanamide?
N-[2-hydroxy-2-(1-hydroxybutan-2-yloxy)-1-methoxyethyl]-2,2-dimethylpropanamide has a molecular weight of 263.33 g/mol, XLogP of 0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-hydroxybutan-2-yloxy)-1-methoxyethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 130196013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).