(Z)-2-acetamido-N-(2-ethyl-6-methylphenyl)-3-(2-methylphenyl)prop-2-enamide

C21H24N2O2 — CID 17285918

IUPAC(Z)-2-acetamido-N-(2-ethyl-6-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCCc1cccc(C)c1NC(=O)/C(=C/c1ccccc1C)NC(C)=O
InChIInChI=1S/C21H24N2O2/c1-5-17-12-8-10-15(3)20(17)23-21(25)19(22-16(4)24)13-18-11-7-6-9-14(18)2/h6-13H,5H2,1-4H3,(H,22,24)(H,23,25)/b19-13-
InChIKeyLOPCATSPBZVWAI-UYRXBGFRSA-N
MW336.44 g/mol
LogP3.98
Rot. Bonds5

About (Z)-2-acetamido-N-(2-ethyl-6-methylphenyl)-3-(2-methylphenyl)prop-2-enamide

(Z)-2-acetamido-N-(2-ethyl-6-methylphenyl)-3-(2-methylphenyl)prop-2-enamide (PubChem CID 17285918) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (Z)-2-acetamido-N-(2-ethyl-6-methylphenyl)-3-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-N-(2-ethyl-6-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
PubChem CID17285918
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(Z)-2-acetamido-N-(2-ethyl-6-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCCc1cccc(C)c1NC(=O)/C(=C/c1ccccc1C)NC(C)=O
InChIInChI=1S/C21H24N2O2/c1-5-17-12-8-10-15(3)20(17)23-21(25)19(22-16(4)24)13-18-11-7-6-9-14(18)2/h6-13H,5H2,1-4H3,(H,22,24)(H,23,25)/b19-13-
InChIKeyLOPCATSPBZVWAI-UYRXBGFRSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.98
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

(Z)-2-acetamido-N-(2,3-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 19629147
2-acetamido-N-(2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 4929285
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
(Z)-2-acetamido-N-(4-anilinophenyl)-3-(2-methylphenyl)prop-2-enamide
CID 17285895
2-acetamido-N-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enamide
CID 4929239
(Z)-2-acetamido-N-(2-bromophenyl)-3-(2-methylphenyl)prop-2-enamide
CID 17285905
ethyl 4-[[2-acetamido-3-(2-methylphenyl)prop-2-enoyl]amino]benzoate
CID 4929280
(Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 54777104
2-acetamido-N-(3-methoxyphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 4929290
(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260
1-(2-ethyl-6-methylphenyl)-3-prop-1-en-2-ylurea
CID 108910219
(E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)prop-2-enamide
CID 6232322

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-N-(2-ethyl-6-methylphenyl)-3-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-acetamido-N-(2-ethyl-6-methylphenyl)-3-(2-methylphenyl)prop-2-enamide (CID 17285918) is (Z)-2-acetamido-N-(2-ethyl-6-methylphenyl)-3-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-N-(2-ethyl-6-methylphenyl)-3-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-N-(2-ethyl-6-methylphenyl)-3-(2-methylphenyl)prop-2-enamide is CCc1cccc(C)c1NC(=O)/C(=C/c1ccccc1C)NC(C)=O.
What is the InChIKey of (Z)-2-acetamido-N-(2-ethyl-6-methylphenyl)-3-(2-methylphenyl)prop-2-enamide?
The InChIKey is LOPCATSPBZVWAI-UYRXBGFRSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-5-17-12-8-10-15(3)20(17)23-21(25)19(22-16(4)24)13-18-11-7-6-9-14(18)2/h6-13H,5H2,1-4H3,(H,22,24)(H,23,25)/b19-13-.
What are the key properties of (Z)-2-acetamido-N-(2-ethyl-6-methylphenyl)-3-(2-methylphenyl)prop-2-enamide?
(Z)-2-acetamido-N-(2-ethyl-6-methylphenyl)-3-(2-methylphenyl)prop-2-enamide has a molecular weight of 336.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-N-(2-ethyl-6-methylphenyl)-3-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 17285918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).