N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-methylpropanamide

C11H20N2O2 — CID 113052235

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

About N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-methylpropanamide

N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-methylpropanamide (PubChem CID 113052235) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-methylpropanamide
PubChem CID113052235
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-methylpropanamide
SMILESC=CCN(CCNC(=O)C(C)C)C(C)=O
InChIInChI=1S/C11H20N2O2/c1-5-7-13(10(4)14)8-6-12-11(15)9(2)3/h5,9H,1,6-8H2,2-4H3,(H,12,15)
InChIKeyBCZPDHQROVUTQK-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-[2-(propan-2-ylcarbamoylamino)ethyl]-N-prop-2-enylacetamide
CID 113052311
N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-methylpropanamide
CID 113056803
N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947
2-[acetyl(prop-2-enyl)amino]-N-(2-methylpropyl)acetamide
CID 84571207
2-[acetyl(prop-2-enyl)amino]-N-propan-2-ylacetamide
CID 113158494
3-[acetyl(prop-2-enyl)amino]-N-propylpropanamide
CID 113115511
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
N-but-3-enyl-2-methylpropanamide
CID 3434507
3-[acetyl(prop-2-enyl)amino]-N-butylpropanamide
CID 113115514
N-[2-[[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 110280274
N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 113054821
N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-(4-chlorophenoxy)acetamide
CID 113052275

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-methylpropanamide (CID 113052235) is N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-methylpropanamide is C=CCN(CCNC(=O)C(C)C)C(C)=O.
What is the InChIKey of N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-methylpropanamide?
The InChIKey is BCZPDHQROVUTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-7-13(10(4)14)8-6-12-11(15)9(2)3/h5,9H,1,6-8H2,2-4H3,(H,12,15).
What are the key properties of N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-methylpropanamide?
N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-methylpropanamide 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 N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 113052235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).