N-(2-ethylphenyl)-2-methyl-3-phenoxyprop-2-enamide

C18H19NO2 — CID 67542311

IUPACN-(2-ethylphenyl)-2-methyl-3-phenoxyprop-2-enamide
SMILESCCc1ccccc1NC(=O)C(C)=COc1ccccc1
InChIInChI=1S/C18H19NO2/c1-3-15-9-7-8-12-17(15)19-18(20)14(2)13-21-16-10-5-4-6-11-16/h4-13H,3H2,1-2H3,(H,19,20)
InChIKeyGOLVTUGJAKWWHY-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.17
Rot. Bonds5

About N-(2-ethylphenyl)-2-methyl-3-phenoxyprop-2-enamide

N-(2-ethylphenyl)-2-methyl-3-phenoxyprop-2-enamide (PubChem CID 67542311) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-methyl-3-phenoxyprop-2-enamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-methyl-3-phenoxyprop-2-enamide
PubChem CID67542311
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-(2-ethylphenyl)-2-methyl-3-phenoxyprop-2-enamide
SMILESCCc1ccccc1NC(=O)C(C)=COc1ccccc1
InChIInChI=1S/C18H19NO2/c1-3-15-9-7-8-12-17(15)19-18(20)14(2)13-21-16-10-5-4-6-11-16/h4-13H,3H2,1-2H3,(H,19,20)
InChIKeyGOLVTUGJAKWWHY-UHFFFAOYSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-2-methylprop-2-enamide
CID 54544779
2-(2-ethylanilino)-2-oxoacetyl chloride
CID 87858291
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
1-(2-ethylphenyl)-3-(2-methylprop-1-enyl)urea
CID 108909998
N'-(2-carbamoylphenyl)-N-(2-ethylphenyl)oxamide
CID 108529346
N-(2,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 3220613
N'-(2-ethylphenyl)-N-naphthalen-2-yloxamide
CID 108528326
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N,N'-bis(2-benzylphenyl)oxamide
CID 2749119
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
N-(2-ethylphenyl)-N'-(2-phenylethylideneamino)oxamide
CID 4656715
N-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide
CID 108530383

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-methyl-3-phenoxyprop-2-enamide?
The IUPAC name of N-(2-ethylphenyl)-2-methyl-3-phenoxyprop-2-enamide (CID 67542311) is N-(2-ethylphenyl)-2-methyl-3-phenoxyprop-2-enamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-methyl-3-phenoxyprop-2-enamide?
The canonical SMILES for N-(2-ethylphenyl)-2-methyl-3-phenoxyprop-2-enamide is CCc1ccccc1NC(=O)C(C)=COc1ccccc1.
What is the InChIKey of N-(2-ethylphenyl)-2-methyl-3-phenoxyprop-2-enamide?
The InChIKey is GOLVTUGJAKWWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-15-9-7-8-12-17(15)19-18(20)14(2)13-21-16-10-5-4-6-11-16/h4-13H,3H2,1-2H3,(H,19,20).
What are the key properties of N-(2-ethylphenyl)-2-methyl-3-phenoxyprop-2-enamide?
N-(2-ethylphenyl)-2-methyl-3-phenoxyprop-2-enamide has a molecular weight of 281.36 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-methyl-3-phenoxyprop-2-enamide is sourced from PubChem (CID 67542311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).