2-[butyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide

C13H24N2O — CID 78791139

IUPAC2-[butyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN(C)CCCC
InChIInChI=1S/C13H24N2O/c1-5-8-11-14(4)12-13(16)15(9-6-2)10-7-3/h6-7H,2-3,5,8-12H2,1,4H3
InChIKeyQPWMJTWZORBFCB-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.92
Rot. Bonds9

About 2-[butyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide

2-[butyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 78791139) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
PubChem CID78791139
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-[butyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN(C)CCCC
InChIInChI=1S/C13H24N2O/c1-5-8-11-14(4)12-13(16)15(9-6-2)10-7-3/h6-7H,2-3,5,8-12H2,1,4H3
InChIKeyQPWMJTWZORBFCB-UHFFFAOYSA-N
XLogP1.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.92
H-Bond Donors ≤ 50
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 2-[butyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[butyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide (CID 78791139) is 2-[butyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[butyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CN(C)CCCC.
What is the InChIKey of 2-[butyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is QPWMJTWZORBFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-8-11-14(4)12-13(16)15(9-6-2)10-7-3/h6-7H,2-3,5,8-12H2,1,4H3.
What are the key properties of 2-[butyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide?
2-[butyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 224.35 g/mol, XLogP of 1.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 78791139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).