N-methyl-N-[(2S,3R)-2,4,4-trimethyl-1-oxopentan-3-yl]acetamide

C11H21NO2 — CID 134986416

IUPACN-methyl-N-[(2S,3R)-2,4,4-trimethyl-1-oxopentan-3-yl]acetamide
SMILESCC(=O)N(C)[C@H]([C@H](C)C=O)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-8(7-13)10(11(3,4)5)12(6)9(2)14/h7-8,10H,1-6H3/t8-,10-/m1/s1
InChIKeyVPMUPNHGZZUELS-PSASIEDQSA-N
MW199.29 g/mol
LogP1.71
Rot. Bonds3

About N-methyl-N-[(2S,3R)-2,4,4-trimethyl-1-oxopentan-3-yl]acetamide

N-methyl-N-[(2S,3R)-2,4,4-trimethyl-1-oxopentan-3-yl]acetamide (PubChem CID 134986416) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-methyl-N-[(2S,3R)-2,4,4-trimethyl-1-oxopentan-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(2S,3R)-2,4,4-trimethyl-1-oxopentan-3-yl]acetamide
PubChem CID134986416
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-methyl-N-[(2S,3R)-2,4,4-trimethyl-1-oxopentan-3-yl]acetamide
SMILESCC(=O)N(C)[C@H]([C@H](C)C=O)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-8(7-13)10(11(3,4)5)12(6)9(2)14/h7-8,10H,1-6H3/t8-,10-/m1/s1
InChIKeyVPMUPNHGZZUELS-PSASIEDQSA-N
XLogP1.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-N-[(2S,3R)-2,4,4-trimethyl-1-oxopentan-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S,3R)-2,4,4-trimethyl-1-oxopentan-3-yl]acetamide?
The IUPAC name of N-methyl-N-[(2S,3R)-2,4,4-trimethyl-1-oxopentan-3-yl]acetamide (CID 134986416) is N-methyl-N-[(2S,3R)-2,4,4-trimethyl-1-oxopentan-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(2S,3R)-2,4,4-trimethyl-1-oxopentan-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[(2S,3R)-2,4,4-trimethyl-1-oxopentan-3-yl]acetamide is CC(=O)N(C)[C@H]([C@H](C)C=O)C(C)(C)C.
What is the InChIKey of N-methyl-N-[(2S,3R)-2,4,4-trimethyl-1-oxopentan-3-yl]acetamide?
The InChIKey is VPMUPNHGZZUELS-PSASIEDQSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(7-13)10(11(3,4)5)12(6)9(2)14/h7-8,10H,1-6H3/t8-,10-/m1/s1.
What are the key properties of N-methyl-N-[(2S,3R)-2,4,4-trimethyl-1-oxopentan-3-yl]acetamide?
N-methyl-N-[(2S,3R)-2,4,4-trimethyl-1-oxopentan-3-yl]acetamide has a molecular weight of 199.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S,3R)-2,4,4-trimethyl-1-oxopentan-3-yl]acetamide is sourced from PubChem (CID 134986416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).