2-(hydroxymethyl)-N-methoxy-N-methylbutanamide

C7H15NO3 — CID 90959866

IUPAC2-(hydroxymethyl)-N-methoxy-N-methylbutanamide
SMILESCCC(CO)C(=O)N(C)OC
InChIInChI=1S/C7H15NO3/c1-4-6(5-9)7(10)8(2)11-3/h6,9H,4-5H2,1-3H3
InChIKeyDLPLLNBMOIFENX-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.02
Rot. Bonds4

About 2-(hydroxymethyl)-N-methoxy-N-methylbutanamide

2-(hydroxymethyl)-N-methoxy-N-methylbutanamide (PubChem CID 90959866) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-methoxy-N-methylbutanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-methoxy-N-methylbutanamide
PubChem CID90959866
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-(hydroxymethyl)-N-methoxy-N-methylbutanamide
SMILESCCC(CO)C(=O)N(C)OC
InChIInChI=1S/C7H15NO3/c1-4-6(5-9)7(10)8(2)11-3/h6,9H,4-5H2,1-3H3
InChIKeyDLPLLNBMOIFENX-UHFFFAOYSA-N
XLogP0.02
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-methoxy-N-methylbutanamide?
The IUPAC name of 2-(hydroxymethyl)-N-methoxy-N-methylbutanamide (CID 90959866) is 2-(hydroxymethyl)-N-methoxy-N-methylbutanamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-methoxy-N-methylbutanamide?
The canonical SMILES for 2-(hydroxymethyl)-N-methoxy-N-methylbutanamide is CCC(CO)C(=O)N(C)OC.
What is the InChIKey of 2-(hydroxymethyl)-N-methoxy-N-methylbutanamide?
The InChIKey is DLPLLNBMOIFENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4-6(5-9)7(10)8(2)11-3/h6,9H,4-5H2,1-3H3.
What are the key properties of 2-(hydroxymethyl)-N-methoxy-N-methylbutanamide?
2-(hydroxymethyl)-N-methoxy-N-methylbutanamide has a molecular weight of 161.20 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-methoxy-N-methylbutanamide is sourced from PubChem (CID 90959866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).