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

C20H23NO — CID 6161453

IUPAC(E)-N-(3-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCCc1cccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H23NO/c1-4-16-6-5-7-19(14-16)21-20(22)13-10-17-8-11-18(12-9-17)15(2)3/h5-15H,4H2,1-3H3,(H,21,22)/b13-10+
InChIKeyCKWUOUFAGFBDIO-JLHYYAGUSA-N
MW293.41 g/mol
LogP5.02
Rot. Bonds5

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

(E)-N-(3-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 6161453) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (E)-N-(3-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID6161453
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(E)-N-(3-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCCc1cccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H23NO/c1-4-16-6-5-7-19(14-16)21-20(22)13-10-17-8-11-18(12-9-17)15(2)3/h5-15H,4H2,1-3H3,(H,21,22)/b13-10+
InChIKeyCKWUOUFAGFBDIO-JLHYYAGUSA-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

methyl 4-[(E)-3-(3-ethylanilino)-3-oxoprop-1-enyl]benzoate
CID 26736487
(E)-N-(3-fluorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 785785
N-[3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]pentanamide
CID 6119425
(E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 2591543
2-ethoxyethyl 3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate
CID 19172042
(E)-3-(4-chloro-3-nitrophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 7699851
(Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 22305599
(Z)-3-(2-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 2169951
N-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1376965
N-(3-ethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 844866
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 26736528
(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28854457

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 6161453) is (E)-N-(3-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is CCc1cccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c1.
What is the InChIKey of (E)-N-(3-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is CKWUOUFAGFBDIO-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H23NO/c1-4-16-6-5-7-19(14-16)21-20(22)13-10-17-8-11-18(12-9-17)15(2)3/h5-15H,4H2,1-3H3,(H,21,22)/b13-10+.
What are the key properties of (E)-N-(3-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-N-(3-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 (E)-N-(3-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 6161453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).