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

C22H26BrNO — CID 53267822

IUPAC(E)-N-(2-bromo-4-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCCCCc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c(Br)c1
InChIInChI=1S/C22H26BrNO/c1-4-5-6-18-9-13-21(20(23)15-18)24-22(25)14-10-17-7-11-19(12-8-17)16(2)3/h7-16H,4-6H2,1-3H3,(H,24,25)/b14-10+
InChIKeyGXOZVOBHJXGBCT-GXDHUFHOSA-N
MW400.36 g/mol
LogP6.57
Rot. Bonds7

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

(E)-N-(2-bromo-4-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 53267822) has the molecular formula C22H26BrNO and a molecular weight of 400.36 g/mol. Its IUPAC name is (E)-N-(2-bromo-4-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-bromo-4-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID53267822
Molecular FormulaC22H26BrNO
Molecular Weight400.36 g/mol
Exact Mass399.12
IUPAC Name(E)-N-(2-bromo-4-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCCCCc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c(Br)c1
InChIInChI=1S/C22H26BrNO/c1-4-5-6-18-9-13-21(20(23)15-18)24-22(25)14-10-17-7-11-19(12-8-17)16(2)3/h7-16H,4-6H2,1-3H3,(H,24,25)/b14-10+
InChIKeyGXOZVOBHJXGBCT-GXDHUFHOSA-N
XLogP6.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.36
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-(2-bromo-4-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(2-bromo-4-butylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 53267823
(E)-N-(2-bromo-4-ethylphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 53268248
N-(2-bromo-4-butylphenyl)acetamide
CID 23274178
(E)-N-(2-bromo-4-butylphenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide
CID 53267730
(E)-N-(2-bromo-4-ethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 53268229
N-(2-bromo-4-methylphenyl)-3-(4-butoxyphenyl)prop-2-enamide
CID 3590404
N-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1376965
N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4667675
methyl 5-bromo-2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate
CID 19168703
N-[3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]pentanamide
CID 6119425
N-(4-butylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 4090425
N-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4115175

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-bromo-4-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-bromo-4-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 53267822) is (E)-N-(2-bromo-4-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-bromo-4-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-bromo-4-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is CCCCc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c(Br)c1.
What is the InChIKey of (E)-N-(2-bromo-4-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is GXOZVOBHJXGBCT-GXDHUFHOSA-N. The full InChI is InChI=1S/C22H26BrNO/c1-4-5-6-18-9-13-21(20(23)15-18)24-22(25)14-10-17-7-11-19(12-8-17)16(2)3/h7-16H,4-6H2,1-3H3,(H,24,25)/b14-10+.
What are the key properties of (E)-N-(2-bromo-4-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-N-(2-bromo-4-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 400.36 g/mol, XLogP of 6.57, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-bromo-4-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 53267822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).