2-(2-amino-2-methylpropoxy)-N-prop-2-ynylacetamide

C9H16N2O2 — CID 64537393

IUPAC2-(2-amino-2-methylpropoxy)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COCC(C)(C)N
InChIInChI=1S/C9H16N2O2/c1-4-5-11-8(12)6-13-7-9(2,3)10/h1H,5-7,10H2,2-3H3,(H,11,12)
InChIKeyAZJCWMCETGWANJ-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.51
Rot. Bonds5

About 2-(2-amino-2-methylpropoxy)-N-prop-2-ynylacetamide

2-(2-amino-2-methylpropoxy)-N-prop-2-ynylacetamide (PubChem CID 64537393) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropoxy)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(2-amino-2-methylpropoxy)-N-prop-2-ynylacetamide
PubChem CID64537393
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-(2-amino-2-methylpropoxy)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COCC(C)(C)N
InChIInChI=1S/C9H16N2O2/c1-4-5-11-8(12)6-13-7-9(2,3)10/h1H,5-7,10H2,2-3H3,(H,11,12)
InChIKeyAZJCWMCETGWANJ-UHFFFAOYSA-N
XLogP-0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-amino-2-methylpropoxy)-N-prop-2-ynylacetamide 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 2-(2-amino-2-methylpropoxy)-N-prop-2-ynylacetamide?
The IUPAC name of 2-(2-amino-2-methylpropoxy)-N-prop-2-ynylacetamide (CID 64537393) is 2-(2-amino-2-methylpropoxy)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(2-amino-2-methylpropoxy)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(2-amino-2-methylpropoxy)-N-prop-2-ynylacetamide is C#CCNC(=O)COCC(C)(C)N.
What is the InChIKey of 2-(2-amino-2-methylpropoxy)-N-prop-2-ynylacetamide?
The InChIKey is AZJCWMCETGWANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-5-11-8(12)6-13-7-9(2,3)10/h1H,5-7,10H2,2-3H3,(H,11,12).
What are the key properties of 2-(2-amino-2-methylpropoxy)-N-prop-2-ynylacetamide?
2-(2-amino-2-methylpropoxy)-N-prop-2-ynylacetamide has a molecular weight of 184.24 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropoxy)-N-prop-2-ynylacetamide is sourced from PubChem (CID 64537393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).