N-ethyl-3-[2-[2-(2-methylpropylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide

C12H22N4O3 — CID 5017552

IUPACN-ethyl-3-[2-[2-(2-methylpropylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide
SMILESCCNC(=O)C=C(C)NNC(=O)C(=O)NCC(C)C
InChIInChI=1S/C12H22N4O3/c1-5-13-10(17)6-9(4)15-16-12(19)11(18)14-7-8(2)3/h6,8,15H,5,7H2,1-4H3,(H,13,17)(H,14,18)(H,16,19)
InChIKeySODAFQTVNZXCOY-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.58
Rot. Bonds6

About N-ethyl-3-[2-[2-(2-methylpropylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide

N-ethyl-3-[2-[2-(2-methylpropylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide (PubChem CID 5017552) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-ethyl-3-[2-[2-(2-methylpropylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide.

Molecular Properties

Compound NameN-ethyl-3-[2-[2-(2-methylpropylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide
PubChem CID5017552
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC NameN-ethyl-3-[2-[2-(2-methylpropylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide
SMILESCCNC(=O)C=C(C)NNC(=O)C(=O)NCC(C)C
InChIInChI=1S/C12H22N4O3/c1-5-13-10(17)6-9(4)15-16-12(19)11(18)14-7-8(2)3/h6,8,15H,5,7H2,1-4H3,(H,13,17)(H,14,18)(H,16,19)
InChIKeySODAFQTVNZXCOY-UHFFFAOYSA-N
XLogP-0.58
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-ethyl-3-[2-[2-(2-methylpropylamino)-2-oxoacetyl]hydrazinyl]but-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

N-butyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 53992180
N-tert-butyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide
CID 69006694
N-butan-2-yl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 110600660
5-oxo-N-propyl-1,2-dihydropyrazole-3-carboxamide
CID 112513801
N-(2-methylpropyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513805
N-[2-(2,4,5,9-tetramethyl-3,7-dioxo-1H-1,2,6-triazonin-6-yl)ethyl]acetamide
CID 134333641
(E)-3-[2-[2-(tert-butylamino)-2-oxoacetyl]hydrazinyl]-N-cyclohexylbut-2-enamide
CID 2302900
N-ethyl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide
CID 4068527
N-butan-2-yl-3-(2-propanoylhydrazinyl)but-2-enamide
CID 4565784
N-butan-2-yl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide
CID 4565786
N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide
CID 45121471
5-(methylaminomethyl)-2-(2-methylpropyl)-1H-pyrazol-3-one
CID 83876292

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[2-[2-(2-methylpropylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide?
The IUPAC name of N-ethyl-3-[2-[2-(2-methylpropylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide (CID 5017552) is N-ethyl-3-[2-[2-(2-methylpropylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide.
What is the SMILES notation for N-ethyl-3-[2-[2-(2-methylpropylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide?
The canonical SMILES for N-ethyl-3-[2-[2-(2-methylpropylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide is CCNC(=O)C=C(C)NNC(=O)C(=O)NCC(C)C.
What is the InChIKey of N-ethyl-3-[2-[2-(2-methylpropylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide?
The InChIKey is SODAFQTVNZXCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-5-13-10(17)6-9(4)15-16-12(19)11(18)14-7-8(2)3/h6,8,15H,5,7H2,1-4H3,(H,13,17)(H,14,18)(H,16,19).
What are the key properties of N-ethyl-3-[2-[2-(2-methylpropylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide?
N-ethyl-3-[2-[2-(2-methylpropylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide has a molecular weight of 270.33 g/mol, XLogP of -0.58, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[2-[2-(2-methylpropylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide is sourced from PubChem (CID 5017552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).