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

C14H26N2O2 — CID 137321743

IUPAC2-[[(E)-but-2-enoyl]-ethylamino]-N,N-diethylbutanamide
SMILESC/C=C/C(=O)N(CC)C(CC)C(=O)N(CC)CC
InChIInChI=1S/C14H26N2O2/c1-6-11-13(17)16(10-5)12(7-2)14(18)15(8-3)9-4/h6,11-12H,7-10H2,1-5H3/b11-6+
InChIKeyLWRJEUPYHQGHIF-IZZDOVSWSA-N
MW254.37 g/mol
LogP2.06
Rot. Bonds7

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

2-[[(E)-but-2-enoyl]-ethylamino]-N,N-diethylbutanamide (PubChem CID 137321743) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[[(E)-but-2-enoyl]-ethylamino]-N,N-diethylbutanamide.

Molecular Properties

Compound Name2-[[(E)-but-2-enoyl]-ethylamino]-N,N-diethylbutanamide
PubChem CID137321743
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-[[(E)-but-2-enoyl]-ethylamino]-N,N-diethylbutanamide
SMILESC/C=C/C(=O)N(CC)C(CC)C(=O)N(CC)CC
InChIInChI=1S/C14H26N2O2/c1-6-11-13(17)16(10-5)12(7-2)14(18)15(8-3)9-4/h6,11-12H,7-10H2,1-5H3/b11-6+
InChIKeyLWRJEUPYHQGHIF-IZZDOVSWSA-N
XLogP2.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Crotetamide
CID 5368010
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
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-diethylbutanamide?
The IUPAC name of 2-[[(E)-but-2-enoyl]-ethylamino]-N,N-diethylbutanamide (CID 137321743) is 2-[[(E)-but-2-enoyl]-ethylamino]-N,N-diethylbutanamide.
What is the SMILES notation for 2-[[(E)-but-2-enoyl]-ethylamino]-N,N-diethylbutanamide?
The canonical SMILES for 2-[[(E)-but-2-enoyl]-ethylamino]-N,N-diethylbutanamide is C/C=C/C(=O)N(CC)C(CC)C(=O)N(CC)CC.
What is the InChIKey of 2-[[(E)-but-2-enoyl]-ethylamino]-N,N-diethylbutanamide?
The InChIKey is LWRJEUPYHQGHIF-IZZDOVSWSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-6-11-13(17)16(10-5)12(7-2)14(18)15(8-3)9-4/h6,11-12H,7-10H2,1-5H3/b11-6+.
What are the key properties of 2-[[(E)-but-2-enoyl]-ethylamino]-N,N-diethylbutanamide?
2-[[(E)-but-2-enoyl]-ethylamino]-N,N-diethylbutanamide has a molecular weight of 254.37 g/mol, XLogP of 2.06, 7 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-diethylbutanamide is sourced from PubChem (CID 137321743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).