N-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

C20H23NO — CID 1376965

IUPACN-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCCc1ccccc1NC(=O)C=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C20H23NO/c1-4-17-7-5-6-8-19(17)21-20(22)14-11-16-9-12-18(13-10-16)15(2)3/h5-15H,4H2,1-3H3,(H,21,22)
InChIKeyVDLKWVWSZRDHDU-UHFFFAOYSA-N
MW293.41 g/mol
LogP5.02
Rot. Bonds5

About N-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

N-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 1376965) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID1376965
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC NameN-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCCc1ccccc1NC(=O)C=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C20H23NO/c1-4-17-7-5-6-8-19(17)21-20(22)14-11-16-9-12-18(13-10-16)15(2)3/h5-15H,4H2,1-3H3,(H,21,22)
InChIKeyVDLKWVWSZRDHDU-UHFFFAOYSA-N
XLogP5.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.41
LogP ≤ 55.02
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-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4667675
3-(4-tert-butylphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 3637255
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-ethylphenyl)prop-2-enamide
CID 7923768
(E)-N-(3-chloro-2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 792205
(E)-N-[2-(4-methylanilino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 108767317
(E)-N-(3-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6161453
(E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148246
(Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 22305599
(E)-N-(2-morpholin-4-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1291388
N'-(2-ethylphenyl)but-2-enediamide
CID 131854117
(E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide
CID 43601058
(E)-3-(4-propan-2-ylphenyl)-N-propylprop-2-enamide
CID 6159715

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of N-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 1376965) is N-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for N-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is CCc1ccccc1NC(=O)C=Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is VDLKWVWSZRDHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-4-17-7-5-6-8-19(17)21-20(22)14-11-16-9-12-18(13-10-16)15(2)3/h5-15H,4H2,1-3H3,(H,21,22).
What are the key properties of N-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
N-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 293.41 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 1376965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).