2-[methyl(2-methylbutan-2-yl)amino]-N-prop-2-ynylacetamide

C11H20N2O — CID 78963427

IUPAC2-[methyl(2-methylbutan-2-yl)amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(C)C(C)(C)CC
InChIInChI=1S/C11H20N2O/c1-6-8-12-10(14)9-13(5)11(3,4)7-2/h1H,7-9H2,2-5H3,(H,12,14)
InChIKeyHHWYDVAFBBTUTF-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.86
Rot. Bonds5

About 2-[methyl(2-methylbutan-2-yl)amino]-N-prop-2-ynylacetamide

2-[methyl(2-methylbutan-2-yl)amino]-N-prop-2-ynylacetamide (PubChem CID 78963427) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[methyl(2-methylbutan-2-yl)amino]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[methyl(2-methylbutan-2-yl)amino]-N-prop-2-ynylacetamide
PubChem CID78963427
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-[methyl(2-methylbutan-2-yl)amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(C)C(C)(C)CC
InChIInChI=1S/C11H20N2O/c1-6-8-12-10(14)9-13(5)11(3,4)7-2/h1H,7-9H2,2-5H3,(H,12,14)
InChIKeyHHWYDVAFBBTUTF-UHFFFAOYSA-N
XLogP0.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[methyl(2-methylbutan-2-yl)amino]-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-[methyl(2-methylbutan-2-yl)amino]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[methyl(2-methylbutan-2-yl)amino]-N-prop-2-ynylacetamide (CID 78963427) is 2-[methyl(2-methylbutan-2-yl)amino]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[methyl(2-methylbutan-2-yl)amino]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[methyl(2-methylbutan-2-yl)amino]-N-prop-2-ynylacetamide is C#CCNC(=O)CN(C)C(C)(C)CC.
What is the InChIKey of 2-[methyl(2-methylbutan-2-yl)amino]-N-prop-2-ynylacetamide?
The InChIKey is HHWYDVAFBBTUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-6-8-12-10(14)9-13(5)11(3,4)7-2/h1H,7-9H2,2-5H3,(H,12,14).
What are the key properties of 2-[methyl(2-methylbutan-2-yl)amino]-N-prop-2-ynylacetamide?
2-[methyl(2-methylbutan-2-yl)amino]-N-prop-2-ynylacetamide has a molecular weight of 196.29 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylbutan-2-yl)amino]-N-prop-2-ynylacetamide is sourced from PubChem (CID 78963427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).