2-[[(E)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide

C12H22N2O2 — CID 5368010

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IUPAC2-[[(E)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide
SMILESC/C=C/C(=O)N(CC)C(CC)C(=O)N(C)C
InChIInChI=1S/C12H22N2O2/c1-6-9-11(15)14(8-3)10(7-2)12(16)13(4)5/h6,9-10H,7-8H2,1-5H3/b9-6+
InChIKeyLSAMUAYPDHUBQD-RMKNXTFCSA-N
MW226.32 g/mol
LogP1.28
Rot. Bonds5

About 2-[[(E)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide

2-[[(E)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide (PubChem CID 5368010) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[[(E)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name2-[[(E)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide
PubChem CID5368010
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[[(E)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide
SMILESC/C=C/C(=O)N(CC)C(CC)C(=O)N(C)C
InChIInChI=1S/C12H22N2O2/c1-6-9-11(15)14(8-3)10(7-2)12(16)13(4)5/h6,9-10H,7-8H2,1-5H3/b9-6+
InChIKeyLSAMUAYPDHUBQD-RMKNXTFCSA-N
XLogP1.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cropropamide
CID 5369258
Prethcamide
CID 6537439
2-Butenamide, N-(1-((dimethylamino)carbonyl)propyl)-N-ethyl-, mixt. with N-(1-((dimethylamino)carbonyl)propyl)-N-propyl-2-butenamide
CID 71672
Propylbutamide
CID 19064
N-(1-(dimethylamino)-1-oxobutan-2-yl)-N-ethylbut-2-enamide
CID 71217
1-(But-2-enoyl)azetidine-2-carboxamide
CID 155819331
Crotonamide, N-(1-(diethylcarbamoyl)propyl)-N-ethyl-
CID 137321743
N,N-dibutyl-2-(2,5-dioxopyrrol-1-yl)acetamide
CID 23557843
(2S)-2-(5-oxo-2H-pyrrol-1-yl)butanamide
CID 59473878
2-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide
CID 60976862
2-(5-oxo-2H-pyrrol-1-yl)butanamide
CID 67367420
2-(2,5-Dioxopyrrol-1-yl)butanamide
CID 69826129

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide?
The IUPAC name of 2-[[(E)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide (CID 5368010) is 2-[[(E)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide.
What is the SMILES notation for 2-[[(E)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide?
The canonical SMILES for 2-[[(E)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide is C/C=C/C(=O)N(CC)C(CC)C(=O)N(C)C.
What is the InChIKey of 2-[[(E)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide?
The InChIKey is LSAMUAYPDHUBQD-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-6-9-11(15)14(8-3)10(7-2)12(16)13(4)5/h6,9-10H,7-8H2,1-5H3/b9-6+.
What are the key properties of 2-[[(E)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide?
2-[[(E)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide has a molecular weight of 226.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide is sourced from PubChem (CID 5368010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).