N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide

C19H21NO — CID 3643097

IUPACN-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCCc1cccc(C)c1NC(=O)C=Cc1ccc(C)cc1
InChIInChI=1S/C19H21NO/c1-4-17-7-5-6-15(3)19(17)20-18(21)13-12-16-10-8-14(2)9-11-16/h5-13H,4H2,1-3H3,(H,20,21)
InChIKeyUUKQCQULFTXZRL-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.52
Rot. Bonds4

About N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide

N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide (PubChem CID 3643097) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
PubChem CID3643097
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCCc1cccc(C)c1NC(=O)C=Cc1ccc(C)cc1
InChIInChI=1S/C19H21NO/c1-4-17-7-5-6-15(3)19(17)20-18(21)13-12-16-10-8-14(2)9-11-16/h5-13H,4H2,1-3H3,(H,20,21)
InChIKeyUUKQCQULFTXZRL-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethyl-6-methylphenyl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
CID 4936312
(E)-N-(2-ethyl-6-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 8015224
(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260
3-(3,4-dichlorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 3605032
(E)-N-(2-ethyl-6-methylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 8761389
(E)-3-(3-amino-4-fluorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 39419234
(E)-3-[4-(cyanomethoxy)phenyl]-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 26086673
(E)-3-(3-chloro-4-fluorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 8761699
(E)-N-(2-ethyl-6-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 874179
(E)-N-(2-ethyl-6-methylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 46615951
(E)-N-(2-ethyl-6-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2665542
3-(2,6-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 963630

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide (CID 3643097) is N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide is CCc1cccc(C)c1NC(=O)C=Cc1ccc(C)cc1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is UUKQCQULFTXZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-4-17-7-5-6-15(3)19(17)20-18(21)13-12-16-10-8-14(2)9-11-16/h5-13H,4H2,1-3H3,(H,20,21).
What are the key properties of N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide?
N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 279.38 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 3643097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).