N-tert-butyl-N-methyl-2-propoxyacetamide

C10H21NO2 — CID 163439562

IUPACN-tert-butyl-N-methyl-2-propoxyacetamide
SMILESCCCOCC(=O)N(C)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-6-7-13-8-9(12)11(5)10(2,3)4/h6-8H2,1-5H3
InChIKeyJSJWQBAINZRRRC-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.67
Rot. Bonds4

About N-tert-butyl-N-methyl-2-propoxyacetamide

N-tert-butyl-N-methyl-2-propoxyacetamide (PubChem CID 163439562) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-2-propoxyacetamide.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-2-propoxyacetamide
PubChem CID163439562
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-tert-butyl-N-methyl-2-propoxyacetamide
SMILESCCCOCC(=O)N(C)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-6-7-13-8-9(12)11(5)10(2,3)4/h6-8H2,1-5H3
InChIKeyJSJWQBAINZRRRC-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butyl-N-methyl-2-propoxyacetamide 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-tert-butyl-N-methyl-2-propoxyacetamide?
The IUPAC name of N-tert-butyl-N-methyl-2-propoxyacetamide (CID 163439562) is N-tert-butyl-N-methyl-2-propoxyacetamide.
What is the SMILES notation for N-tert-butyl-N-methyl-2-propoxyacetamide?
The canonical SMILES for N-tert-butyl-N-methyl-2-propoxyacetamide is CCCOCC(=O)N(C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methyl-2-propoxyacetamide?
The InChIKey is JSJWQBAINZRRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-6-7-13-8-9(12)11(5)10(2,3)4/h6-8H2,1-5H3.
What are the key properties of N-tert-butyl-N-methyl-2-propoxyacetamide?
N-tert-butyl-N-methyl-2-propoxyacetamide has a molecular weight of 187.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-2-propoxyacetamide is sourced from PubChem (CID 163439562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).