(E)-2-methyl-4-(methylamino)-N,N-dipropylbut-2-enamide

C12H24N2O — CID 143023885

IUPAC(E)-2-methyl-4-(methylamino)-N,N-dipropylbut-2-enamide
SMILESCCCN(CCC)C(=O)/C(C)=C/CNC
InChIInChI=1S/C12H24N2O/c1-5-9-14(10-6-2)12(15)11(3)7-8-13-4/h7,13H,5-6,8-10H2,1-4H3/b11-7+
InChIKeyWTXSUDDHOXISBL-YRNVUSSQSA-N
MW212.34 g/mol
LogP1.80
Rot. Bonds7

About (E)-2-methyl-4-(methylamino)-N,N-dipropylbut-2-enamide

(E)-2-methyl-4-(methylamino)-N,N-dipropylbut-2-enamide (PubChem CID 143023885) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (E)-2-methyl-4-(methylamino)-N,N-dipropylbut-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-4-(methylamino)-N,N-dipropylbut-2-enamide
PubChem CID143023885
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(E)-2-methyl-4-(methylamino)-N,N-dipropylbut-2-enamide
SMILESCCCN(CCC)C(=O)/C(C)=C/CNC
InChIInChI=1S/C12H24N2O/c1-5-9-14(10-6-2)12(15)11(3)7-8-13-4/h7,13H,5-6,8-10H2,1-4H3/b11-7+
InChIKeyWTXSUDDHOXISBL-YRNVUSSQSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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'}

Analyze (E)-2-methyl-4-(methylamino)-N,N-dipropylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(E)-2-methylpent-2-enoyl]-propylamino]acetic acid
CID 61012071
(E)-2-methyl-4-(methylamino)but-2-enoic acid
CID 87093602
N-butyl-N-(2-hydroxyethyl)-2-methylpent-2-enamide
CID 61217313
6-amino-N,N-dibutyl-2-methylhex-2-enamide
CID 172998500
7-amino-N,N-dibutyl-2-methylhept-2-enamide
CID 173212565
2-(dipropylamino)-2-oxoacetyl chloride
CID 131861907
N-[3-(methylamino)propyl]-N-propylacetamide
CID 130231961
[2-(dipropylamino)-2-oxoethyl]-ethyl-oxophosphanium
CID 174449957
N'-butyl-N-prop-2-enyl-N'-propyloxamide
CID 108521545
3-[(E)-but-1-enyl]-1,1-dipropylurea
CID 108910720
N-(2-bromoethyl)-N-propylacetamide
CID 80660131
N'-butyl-N-ethyl-N'-propyloxamide
CID 108521406

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-(methylamino)-N,N-dipropylbut-2-enamide?
The IUPAC name of (E)-2-methyl-4-(methylamino)-N,N-dipropylbut-2-enamide (CID 143023885) is (E)-2-methyl-4-(methylamino)-N,N-dipropylbut-2-enamide.
What is the SMILES notation for (E)-2-methyl-4-(methylamino)-N,N-dipropylbut-2-enamide?
The canonical SMILES for (E)-2-methyl-4-(methylamino)-N,N-dipropylbut-2-enamide is CCCN(CCC)C(=O)/C(C)=C/CNC.
What is the InChIKey of (E)-2-methyl-4-(methylamino)-N,N-dipropylbut-2-enamide?
The InChIKey is WTXSUDDHOXISBL-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-9-14(10-6-2)12(15)11(3)7-8-13-4/h7,13H,5-6,8-10H2,1-4H3/b11-7+.
What are the key properties of (E)-2-methyl-4-(methylamino)-N,N-dipropylbut-2-enamide?
(E)-2-methyl-4-(methylamino)-N,N-dipropylbut-2-enamide has a molecular weight of 212.34 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-(methylamino)-N,N-dipropylbut-2-enamide is sourced from PubChem (CID 143023885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).