4-ethyl-N-[1-(4-formamidophenyl)ethenyl]benzamide

C18H18N2O2 — CID 143052531

IUPAC4-ethyl-N-[1-(4-formamidophenyl)ethenyl]benzamide
SMILESC=C(NC(=O)c1ccc(CC)cc1)c1ccc(NC=O)cc1
InChIInChI=1S/C18H18N2O2/c1-3-14-4-6-16(7-5-14)18(22)20-13(2)15-8-10-17(11-9-15)19-12-21/h4-12H,2-3H2,1H3,(H,19,21)(H,20,22)
InChIKeyCVSAFKKVBRONLP-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.22
Rot. Bonds6

About 4-ethyl-N-[1-(4-formamidophenyl)ethenyl]benzamide

4-ethyl-N-[1-(4-formamidophenyl)ethenyl]benzamide (PubChem CID 143052531) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-ethyl-N-[1-(4-formamidophenyl)ethenyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[1-(4-formamidophenyl)ethenyl]benzamide
PubChem CID143052531
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-ethyl-N-[1-(4-formamidophenyl)ethenyl]benzamide
SMILESC=C(NC(=O)c1ccc(CC)cc1)c1ccc(NC=O)cc1
InChIInChI=1S/C18H18N2O2/c1-3-14-4-6-16(7-5-14)18(22)20-13(2)15-8-10-17(11-9-15)19-12-21/h4-12H,2-3H2,1H3,(H,19,21)(H,20,22)
InChIKeyCVSAFKKVBRONLP-UHFFFAOYSA-N
XLogP3.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroprop-2-enyl)-4-ethylbenzamide
CID 115636471
4-formamido-N-prop-2-enylbenzamide
CID 64992358
N-(2-cyanobutan-2-yl)-4-ethylbenzamide
CID 51089526
N-(2-cyanopropan-2-yl)-4-ethylbenzamide
CID 60967523
ethane;4-ethyl-N-hydroxybenzamide
CID 142831550
N-ethyl-1-(4-ethylphenyl)ethenamine
CID 89105478
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
N-ethyl-3-[[(4-formamidobenzoyl)amino]methyl]benzamide
CID 71871569
(E)-3-(4-ethylanilino)prop-2-enoic acid
CID 103235814
N-(4-ethylphenyl)benzamide
CID 774063
4-[[3-(4-ethylphenyl)-3-oxoprop-1-enyl]amino]benzoic acid
CID 890469
N-(3,5-dimethylphenyl)-4-formamidobenzamide
CID 168654127

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(4-formamidophenyl)ethenyl]benzamide?
The IUPAC name of 4-ethyl-N-[1-(4-formamidophenyl)ethenyl]benzamide (CID 143052531) is 4-ethyl-N-[1-(4-formamidophenyl)ethenyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[1-(4-formamidophenyl)ethenyl]benzamide?
The canonical SMILES for 4-ethyl-N-[1-(4-formamidophenyl)ethenyl]benzamide is C=C(NC(=O)c1ccc(CC)cc1)c1ccc(NC=O)cc1.
What is the InChIKey of 4-ethyl-N-[1-(4-formamidophenyl)ethenyl]benzamide?
The InChIKey is CVSAFKKVBRONLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-14-4-6-16(7-5-14)18(22)20-13(2)15-8-10-17(11-9-15)19-12-21/h4-12H,2-3H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 4-ethyl-N-[1-(4-formamidophenyl)ethenyl]benzamide?
4-ethyl-N-[1-(4-formamidophenyl)ethenyl]benzamide has a molecular weight of 294.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(4-formamidophenyl)ethenyl]benzamide is sourced from PubChem (CID 143052531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).