3-(dimethylamino)-N-prop-2-enylpropanamide

C8H16N2O — CID 78920272

IUPAC3-(dimethylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(C)C
InChIInChI=1S/C8H16N2O/c1-4-6-9-8(11)5-7-10(2)3/h4H,1,5-7H2,2-3H3,(H,9,11)
InChIKeyJYXBTWNZUKHDQF-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.24
Rot. Bonds5

About 3-(dimethylamino)-N-prop-2-enylpropanamide

3-(dimethylamino)-N-prop-2-enylpropanamide (PubChem CID 78920272) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-(dimethylamino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-prop-2-enylpropanamide
PubChem CID78920272
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-(dimethylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(C)C
InChIInChI=1S/C8H16N2O/c1-4-6-9-8(11)5-7-10(2)3/h4H,1,5-7H2,2-3H3,(H,9,11)
InChIKeyJYXBTWNZUKHDQF-UHFFFAOYSA-N
XLogP0.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-prop-2-enylpropanamide?
The IUPAC name of 3-(dimethylamino)-N-prop-2-enylpropanamide (CID 78920272) is 3-(dimethylamino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(dimethylamino)-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(dimethylamino)-N-prop-2-enylpropanamide is C=CCNC(=O)CCN(C)C.
What is the InChIKey of 3-(dimethylamino)-N-prop-2-enylpropanamide?
The InChIKey is JYXBTWNZUKHDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-4-6-9-8(11)5-7-10(2)3/h4H,1,5-7H2,2-3H3,(H,9,11).
What are the key properties of 3-(dimethylamino)-N-prop-2-enylpropanamide?
3-(dimethylamino)-N-prop-2-enylpropanamide has a molecular weight of 156.23 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 78920272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).