2-[acetyl(2-methylpropyl)amino]-N-prop-2-enylacetamide

C11H20N2O2 — CID 113158811

IUPAC2-[acetyl(2-methylpropyl)amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(CC(C)C)C(C)=O
InChIInChI=1S/C11H20N2O2/c1-5-6-12-11(15)8-13(10(4)14)7-9(2)3/h5,9H,1,6-8H2,2-4H3,(H,12,15)
InChIKeyUSWCBDXVMSAUKR-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.79
Rot. Bonds6

About 2-[acetyl(2-methylpropyl)amino]-N-prop-2-enylacetamide

2-[acetyl(2-methylpropyl)amino]-N-prop-2-enylacetamide (PubChem CID 113158811) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[acetyl(2-methylpropyl)amino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[acetyl(2-methylpropyl)amino]-N-prop-2-enylacetamide
PubChem CID113158811
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-[acetyl(2-methylpropyl)amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(CC(C)C)C(C)=O
InChIInChI=1S/C11H20N2O2/c1-5-6-12-11(15)8-13(10(4)14)7-9(2)3/h5,9H,1,6-8H2,2-4H3,(H,12,15)
InChIKeyUSWCBDXVMSAUKR-UHFFFAOYSA-N
XLogP0.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N~1~,N~2~-diallylethanediamide
CID 241033
N-allyl-4-methyl-piperazine-1-carboxyamide
CID 3229441
Allyloxamid
CID 22736542
2-(dimethylamino)-N-prop-2-enylacetamide
CID 19362079
2-(methylamino)-N,N-bis(prop-2-enyl)acetamide
CID 24694747
2-[acetyl(propan-2-yl)amino]-N-prop-2-enylacetamide
CID 113158100
Ammonium, (oxalylbis(iminoethylene))bis(allyldiethyl-, dibromide
CID 24833562
N-butyl-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 79277924
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-(prop-2-enylamino)acetamide
CID 79277930
N-methyl-2-(prop-2-enylamino)-N-(3,3,3-trifluoropropyl)acetamide
CID 79278051
2-(prop-2-enylamino)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 79278113
N-[2-(dimethylamino)-2-oxoethyl]-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 79279240

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2-methylpropyl)amino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[acetyl(2-methylpropyl)amino]-N-prop-2-enylacetamide (CID 113158811) is 2-[acetyl(2-methylpropyl)amino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[acetyl(2-methylpropyl)amino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[acetyl(2-methylpropyl)amino]-N-prop-2-enylacetamide is C=CCNC(=O)CN(CC(C)C)C(C)=O.
What is the InChIKey of 2-[acetyl(2-methylpropyl)amino]-N-prop-2-enylacetamide?
The InChIKey is USWCBDXVMSAUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-6-12-11(15)8-13(10(4)14)7-9(2)3/h5,9H,1,6-8H2,2-4H3,(H,12,15).
What are the key properties of 2-[acetyl(2-methylpropyl)amino]-N-prop-2-enylacetamide?
2-[acetyl(2-methylpropyl)amino]-N-prop-2-enylacetamide has a molecular weight of 212.29 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2-methylpropyl)amino]-N-prop-2-enylacetamide is sourced from PubChem (CID 113158811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).