N'-(2-ethylphenyl)but-2-enediamide

C12H14N2O2 — CID 131854117

IUPACN'-(2-ethylphenyl)but-2-enediamide
SMILESCCc1ccccc1NC(=O)C=CC(N)=O
InChIInChI=1S/C12H14N2O2/c1-2-9-5-3-4-6-10(9)14-12(16)8-7-11(13)15/h3-8H,2H2,1H3,(H2,13,15)(H,14,16)
InChIKeyJEHMRBPVHLYECV-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.23
Rot. Bonds4

About N'-(2-ethylphenyl)but-2-enediamide

N'-(2-ethylphenyl)but-2-enediamide (PubChem CID 131854117) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N'-(2-ethylphenyl)but-2-enediamide.

Molecular Properties

Compound NameN'-(2-ethylphenyl)but-2-enediamide
PubChem CID131854117
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN'-(2-ethylphenyl)but-2-enediamide
SMILESCCc1ccccc1NC(=O)C=CC(N)=O
InChIInChI=1S/C12H14N2O2/c1-2-9-5-3-4-6-10(9)14-12(16)8-7-11(13)15/h3-8H,2H2,1H3,(H2,13,15)(H,14,16)
InChIKeyJEHMRBPVHLYECV-UHFFFAOYSA-N
XLogP1.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-ethylphenyl)-4-naphthalen-1-yl-4-oxobut-2-enamide
CID 134086602
(Z)-N'-(2-fluorophenyl)but-2-enediamide
CID 141192476
3-(4-tert-butylphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 3637255
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1376965
(E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148246
N'-(2-carbamoylphenyl)-N-(2-ethylphenyl)oxamide
CID 108529346
(E)-4-[2-(methoxymethyl)anilino]-4-oxobut-2-enoic acid
CID 54868087
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-ethylphenyl)prop-2-enamide
CID 7923768
2-(2-ethylanilino)-2-oxoacetyl chloride
CID 87858291

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylphenyl)but-2-enediamide?
The IUPAC name of N'-(2-ethylphenyl)but-2-enediamide (CID 131854117) is N'-(2-ethylphenyl)but-2-enediamide.
What is the SMILES notation for N'-(2-ethylphenyl)but-2-enediamide?
The canonical SMILES for N'-(2-ethylphenyl)but-2-enediamide is CCc1ccccc1NC(=O)C=CC(N)=O.
What is the InChIKey of N'-(2-ethylphenyl)but-2-enediamide?
The InChIKey is JEHMRBPVHLYECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-9-5-3-4-6-10(9)14-12(16)8-7-11(13)15/h3-8H,2H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N'-(2-ethylphenyl)but-2-enediamide?
N'-(2-ethylphenyl)but-2-enediamide has a molecular weight of 218.26 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylphenyl)but-2-enediamide is sourced from PubChem (CID 131854117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).