2-propan-2-yloxy-N-prop-2-enylacetamide

C8H15NO2 — CID 112686662

IUPAC2-propan-2-yloxy-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COC(C)C
InChIInChI=1S/C8H15NO2/c1-4-5-9-8(10)6-11-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyDXWRLLYBCLDWIA-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.71
Rot. Bonds5

About 2-propan-2-yloxy-N-prop-2-enylacetamide

2-propan-2-yloxy-N-prop-2-enylacetamide (PubChem CID 112686662) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-propan-2-yloxy-N-prop-2-enylacetamide
PubChem CID112686662
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-propan-2-yloxy-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COC(C)C
InChIInChI=1S/C8H15NO2/c1-4-5-9-8(10)6-11-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyDXWRLLYBCLDWIA-UHFFFAOYSA-N
XLogP0.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-propan-2-yloxy-N-prop-2-enylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

prop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate
CID 89280805
N-pent-4-en-2-yl-2-propan-2-yloxyacetamide
CID 115631361
N-(2-aminopropyl)-2-propan-2-yloxyacetamide
CID 112603386
N-[2-(methylamino)ethyl]-2-propan-2-yloxyacetamide
CID 112701277
methyl 2-[(2-propan-2-yloxyacetyl)amino]acetate
CID 112686620
2-[1-(1-methylcyclopropyl)ethylamino]-N-prop-2-enylacetamide
CID 115923531
1-propan-2-yloxybut-3-en-2-one
CID 105110955
2-methoxy-N-prop-2-enylpropanamide
CID 100983783
N-(5-formamidopentyl)-2-propan-2-yloxyacetamide
CID 155740899
2-(2-aminoethoxy)-N-prop-2-enylacetamide
CID 62343413
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 78932793
N-prop-2-enyl(113C)but-3-enamide
CID 173349564

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-prop-2-enylacetamide?
The IUPAC name of 2-propan-2-yloxy-N-prop-2-enylacetamide (CID 112686662) is 2-propan-2-yloxy-N-prop-2-enylacetamide.
What is the SMILES notation for 2-propan-2-yloxy-N-prop-2-enylacetamide?
The canonical SMILES for 2-propan-2-yloxy-N-prop-2-enylacetamide is C=CCNC(=O)COC(C)C.
What is the InChIKey of 2-propan-2-yloxy-N-prop-2-enylacetamide?
The InChIKey is DXWRLLYBCLDWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-5-9-8(10)6-11-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10).
What are the key properties of 2-propan-2-yloxy-N-prop-2-enylacetamide?
2-propan-2-yloxy-N-prop-2-enylacetamide has a molecular weight of 157.21 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-prop-2-enylacetamide is sourced from PubChem (CID 112686662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).