N,N-diethyl-3-(2-methylpropylamino)but-2-enamide

C12H24N2O — CID 146674914

IUPACN,N-diethyl-3-(2-methylpropylamino)but-2-enamide
SMILESCCN(CC)C(=O)C=C(C)NCC(C)C
InChIInChI=1S/C12H24N2O/c1-6-14(7-2)12(15)8-11(5)13-9-10(3)4/h8,10,13H,6-7,9H2,1-5H3
InChIKeyPVSXWICZSMLWAY-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.00
Rot. Bonds6

About N,N-diethyl-3-(2-methylpropylamino)but-2-enamide

N,N-diethyl-3-(2-methylpropylamino)but-2-enamide (PubChem CID 146674914) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N,N-diethyl-3-(2-methylpropylamino)but-2-enamide.

Molecular Properties

Compound NameN,N-diethyl-3-(2-methylpropylamino)but-2-enamide
PubChem CID146674914
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN,N-diethyl-3-(2-methylpropylamino)but-2-enamide
SMILESCCN(CC)C(=O)C=C(C)NCC(C)C
InChIInChI=1S/C12H24N2O/c1-6-14(7-2)12(15)8-11(5)13-9-10(3)4/h8,10,13H,6-7,9H2,1-5H3
InChIKeyPVSXWICZSMLWAY-UHFFFAOYSA-N
XLogP2.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.00
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,N-diethyl-3-(2-methylpropylamino)but-2-enamide?
The IUPAC name of N,N-diethyl-3-(2-methylpropylamino)but-2-enamide (CID 146674914) is N,N-diethyl-3-(2-methylpropylamino)but-2-enamide.
What is the SMILES notation for N,N-diethyl-3-(2-methylpropylamino)but-2-enamide?
The canonical SMILES for N,N-diethyl-3-(2-methylpropylamino)but-2-enamide is CCN(CC)C(=O)C=C(C)NCC(C)C.
What is the InChIKey of N,N-diethyl-3-(2-methylpropylamino)but-2-enamide?
The InChIKey is PVSXWICZSMLWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-6-14(7-2)12(15)8-11(5)13-9-10(3)4/h8,10,13H,6-7,9H2,1-5H3.
What are the key properties of N,N-diethyl-3-(2-methylpropylamino)but-2-enamide?
N,N-diethyl-3-(2-methylpropylamino)but-2-enamide has a molecular weight of 212.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(2-methylpropylamino)but-2-enamide is sourced from PubChem (CID 146674914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).