(2S)-N-ethyl-2-(hydroxymethyl)-N,3,3-trimethylbutanamide

C10H21NO2 — CID 89121964

IUPAC(2S)-N-ethyl-2-(hydroxymethyl)-N,3,3-trimethylbutanamide
SMILESCCN(C)C(=O)[C@H](CO)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-6-11(5)9(13)8(7-12)10(2,3)4/h8,12H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyRYYZCLCLODAVGL-QMMMGPOBSA-N
MW187.28 g/mol
LogP1.12
Rot. Bonds3

About (2S)-N-ethyl-2-(hydroxymethyl)-N,3,3-trimethylbutanamide

(2S)-N-ethyl-2-(hydroxymethyl)-N,3,3-trimethylbutanamide (PubChem CID 89121964) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (2S)-N-ethyl-2-(hydroxymethyl)-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-(hydroxymethyl)-N,3,3-trimethylbutanamide
PubChem CID89121964
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(2S)-N-ethyl-2-(hydroxymethyl)-N,3,3-trimethylbutanamide
SMILESCCN(C)C(=O)[C@H](CO)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-6-11(5)9(13)8(7-12)10(2,3)4/h8,12H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyRYYZCLCLODAVGL-QMMMGPOBSA-N
XLogP1.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-(hydroxymethyl)-N,3,3-trimethylbutanamide?
The IUPAC name of (2S)-N-ethyl-2-(hydroxymethyl)-N,3,3-trimethylbutanamide (CID 89121964) is (2S)-N-ethyl-2-(hydroxymethyl)-N,3,3-trimethylbutanamide.
What is the SMILES notation for (2S)-N-ethyl-2-(hydroxymethyl)-N,3,3-trimethylbutanamide?
The canonical SMILES for (2S)-N-ethyl-2-(hydroxymethyl)-N,3,3-trimethylbutanamide is CCN(C)C(=O)[C@H](CO)C(C)(C)C.
What is the InChIKey of (2S)-N-ethyl-2-(hydroxymethyl)-N,3,3-trimethylbutanamide?
The InChIKey is RYYZCLCLODAVGL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21NO2/c1-6-11(5)9(13)8(7-12)10(2,3)4/h8,12H,6-7H2,1-5H3/t8-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-(hydroxymethyl)-N,3,3-trimethylbutanamide?
(2S)-N-ethyl-2-(hydroxymethyl)-N,3,3-trimethylbutanamide has a molecular weight of 187.28 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-(hydroxymethyl)-N,3,3-trimethylbutanamide is sourced from PubChem (CID 89121964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).