(Z)-but-2-ene;4-ethylbenzamide

C13H19NO — CID 143666599

IUPAC(Z)-but-2-ene;4-ethylbenzamide
SMILESC/C=C\C.CCc1ccc(C(N)=O)cc1
InChIInChI=1S/C9H11NO.C4H8/c1-2-7-3-5-8(6-4-7)9(10)11;1-3-4-2/h3-6H,2H2,1H3,(H2,10,11);3-4H,1-2H3/b;4-3-
InChIKeyCGDWNDQDSPLMIO-QGAMPUOQSA-N
MW205.30 g/mol
LogP2.93
Rot. Bonds2

About (Z)-but-2-ene;4-ethylbenzamide

(Z)-but-2-ene;4-ethylbenzamide (PubChem CID 143666599) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (Z)-but-2-ene;4-ethylbenzamide.

Molecular Properties

Compound Name(Z)-but-2-ene;4-ethylbenzamide
PubChem CID143666599
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(Z)-but-2-ene;4-ethylbenzamide
SMILESC/C=C\C.CCc1ccc(C(N)=O)cc1
InChIInChI=1S/C9H11NO.C4H8/c1-2-7-3-5-8(6-4-7)9(10)11;1-3-4-2/h3-6H,2H2,1H3,(H2,10,11);3-4H,1-2H3/b;4-3-
InChIKeyCGDWNDQDSPLMIO-QGAMPUOQSA-N
XLogP2.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethylphenyl)benzamide
CID 53425878
4-[2-(4-carbamoylphenyl)ethyl]benzamide
CID 14507735
1-(4-ethylphenyl)ethanone;propanamide
CID 142891370
[4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide
CID 68644964
4-ethylbenzoyl iodide
CID 89147367
2-amino-1-(4-ethylphenyl)ethanone
CID 19427259
(Z)-4-amino-2-(4-ethylphenyl)-4-oxobut-2-enoic acid
CID 19910832
1-[(E)-but-2-en-2-yl]-4-ethylbenzene
CID 19784779
4-(3-ethylphenyl)benzamide
CID 54454087
4-[(2-methylbutylamino)methyl]benzamide
CID 62693490
potassium 4-ethylbenzoate
CID 23708087
4-ethylbenzoic acid;formaldehyde
CID 155718391

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;4-ethylbenzamide?
The IUPAC name of (Z)-but-2-ene;4-ethylbenzamide (CID 143666599) is (Z)-but-2-ene;4-ethylbenzamide.
What is the SMILES notation for (Z)-but-2-ene;4-ethylbenzamide?
The canonical SMILES for (Z)-but-2-ene;4-ethylbenzamide is C/C=C\C.CCc1ccc(C(N)=O)cc1.
What is the InChIKey of (Z)-but-2-ene;4-ethylbenzamide?
The InChIKey is CGDWNDQDSPLMIO-QGAMPUOQSA-N. The full InChI is InChI=1S/C9H11NO.C4H8/c1-2-7-3-5-8(6-4-7)9(10)11;1-3-4-2/h3-6H,2H2,1H3,(H2,10,11);3-4H,1-2H3/b;4-3-.
What are the key properties of (Z)-but-2-ene;4-ethylbenzamide?
(Z)-but-2-ene;4-ethylbenzamide has a molecular weight of 205.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;4-ethylbenzamide is sourced from PubChem (CID 143666599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).