N-[2-(dipropylamino)ethyl]but-2-enamide

C12H24N2O — CID 54007608

IUPACN-[2-(dipropylamino)ethyl]but-2-enamide
SMILESCC=CC(=O)NCCN(CCC)CCC
InChIInChI=1S/C12H24N2O/c1-4-7-12(15)13-8-11-14(9-5-2)10-6-3/h4,7H,5-6,8-11H2,1-3H3,(H,13,15)
InChIKeyKPZXFGWUMWBBBB-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.80
Rot. Bonds8

About N-[2-(dipropylamino)ethyl]but-2-enamide

N-[2-(dipropylamino)ethyl]but-2-enamide (PubChem CID 54007608) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[2-(dipropylamino)ethyl]but-2-enamide.

Molecular Properties

Compound NameN-[2-(dipropylamino)ethyl]but-2-enamide
PubChem CID54007608
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[2-(dipropylamino)ethyl]but-2-enamide
SMILESCC=CC(=O)NCCN(CCC)CCC
InChIInChI=1S/C12H24N2O/c1-4-7-12(15)13-8-11-14(9-5-2)10-6-3/h4,7H,5-6,8-11H2,1-3H3,(H,13,15)
InChIKeyKPZXFGWUMWBBBB-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dipropylamino)ethyl]but-2-enamide?
The IUPAC name of N-[2-(dipropylamino)ethyl]but-2-enamide (CID 54007608) is N-[2-(dipropylamino)ethyl]but-2-enamide.
What is the SMILES notation for N-[2-(dipropylamino)ethyl]but-2-enamide?
The canonical SMILES for N-[2-(dipropylamino)ethyl]but-2-enamide is CC=CC(=O)NCCN(CCC)CCC.
What is the InChIKey of N-[2-(dipropylamino)ethyl]but-2-enamide?
The InChIKey is KPZXFGWUMWBBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-7-12(15)13-8-11-14(9-5-2)10-6-3/h4,7H,5-6,8-11H2,1-3H3,(H,13,15).
What are the key properties of N-[2-(dipropylamino)ethyl]but-2-enamide?
N-[2-(dipropylamino)ethyl]but-2-enamide has a molecular weight of 212.34 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dipropylamino)ethyl]but-2-enamide is sourced from PubChem (CID 54007608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).