N-[(2R)-heptan-2-yl]-2-methoxyacetamide

C10H21NO2 — CID 46850472

IUPACN-[(2R)-heptan-2-yl]-2-methoxyacetamide
SMILESCCCCC[C@@H](C)NC(=O)COC
InChIInChI=1S/C10H21NO2/c1-4-5-6-7-9(2)11-10(12)8-13-3/h9H,4-8H2,1-3H3,(H,11,12)/t9-/m1/s1
InChIKeyLMXBOLDBKRBEBZ-SECBINFHSA-N
MW187.28 g/mol
LogP1.72
Rot. Bonds7

About N-[(2R)-heptan-2-yl]-2-methoxyacetamide

N-[(2R)-heptan-2-yl]-2-methoxyacetamide (PubChem CID 46850472) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-[(2R)-heptan-2-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(2R)-heptan-2-yl]-2-methoxyacetamide
PubChem CID46850472
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-[(2R)-heptan-2-yl]-2-methoxyacetamide
SMILESCCCCC[C@@H](C)NC(=O)COC
InChIInChI=1S/C10H21NO2/c1-4-5-6-7-9(2)11-10(12)8-13-3/h9H,4-8H2,1-3H3,(H,11,12)/t9-/m1/s1
InChIKeyLMXBOLDBKRBEBZ-SECBINFHSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2R)-heptan-2-yl]-2-methoxyacetamide 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-[(2R)-heptan-2-yl]-2-methoxyacetamide?
The IUPAC name of N-[(2R)-heptan-2-yl]-2-methoxyacetamide (CID 46850472) is N-[(2R)-heptan-2-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(2R)-heptan-2-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(2R)-heptan-2-yl]-2-methoxyacetamide is CCCCC[C@@H](C)NC(=O)COC.
What is the InChIKey of N-[(2R)-heptan-2-yl]-2-methoxyacetamide?
The InChIKey is LMXBOLDBKRBEBZ-SECBINFHSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-5-6-7-9(2)11-10(12)8-13-3/h9H,4-8H2,1-3H3,(H,11,12)/t9-/m1/s1.
What are the key properties of N-[(2R)-heptan-2-yl]-2-methoxyacetamide?
N-[(2R)-heptan-2-yl]-2-methoxyacetamide has a molecular weight of 187.28 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-heptan-2-yl]-2-methoxyacetamide is sourced from PubChem (CID 46850472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).