(E)-3-(4-bromophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)prop-2-enamide

C15H20BrNO2 — CID 103933346

IUPAC(E)-3-(4-bromophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)prop-2-enamide
SMILESCC(C)(O)C(C)(C)NC(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO2/c1-14(2,15(3,4)19)17-13(18)10-7-11-5-8-12(16)9-6-11/h5-10,19H,1-4H3,(H,17,18)/b10-7+
InChIKeyWGRPSCANVUGEAY-JXMROGBWSA-N
MW326.23 g/mol
LogP3.13
Rot. Bonds4

About (E)-3-(4-bromophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)prop-2-enamide

(E)-3-(4-bromophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)prop-2-enamide (PubChem CID 103933346) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)prop-2-enamide
PubChem CID103933346
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name(E)-3-(4-bromophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)prop-2-enamide
SMILESCC(C)(O)C(C)(C)NC(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO2/c1-14(2,15(3,4)19)17-13(18)10-7-11-5-8-12(16)9-6-11/h5-10,19H,1-4H3,(H,17,18)/b10-7+
InChIKeyWGRPSCANVUGEAY-JXMROGBWSA-N
XLogP3.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(4-bromophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)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)-3-(3-bromophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)prop-2-enamide
CID 103933608
(E)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 103895386
3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-2,2-dimethylpropanoic acid
CID 81368161
methyl 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]acetate
CID 43404674
(E)-3-(4-bromophenyl)-N-[(Z)-2-(4-bromophenyl)ethenyl]sulfinylprop-2-enamide
CID 57480544
3-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-2,2,3-trimethylbutanoic acid
CID 115344389
1,5-bis(4-bromophenyl)penta-1,4-dien-3-one
CID 5127600
methyl 3-(4-bromophenyl)prop-2-enoate
CID 816773
(E)-N-tert-butyl-3-(4-fluorophenyl)prop-2-enamide
CID 923522
(E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide
CID 903325
(E)-3-(2,5-dichlorophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)prop-2-enamide
CID 103933535
(E)-3-(4-bromophenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 896371

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-bromophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)prop-2-enamide (CID 103933346) is (E)-3-(4-bromophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-bromophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)prop-2-enamide is CC(C)(O)C(C)(C)NC(=O)/C=C/c1ccc(Br)cc1.
What is the InChIKey of (E)-3-(4-bromophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)prop-2-enamide?
The InChIKey is WGRPSCANVUGEAY-JXMROGBWSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-14(2,15(3,4)19)17-13(18)10-7-11-5-8-12(16)9-6-11/h5-10,19H,1-4H3,(H,17,18)/b10-7+.
What are the key properties of (E)-3-(4-bromophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)prop-2-enamide?
(E)-3-(4-bromophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)prop-2-enamide has a molecular weight of 326.23 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)prop-2-enamide is sourced from PubChem (CID 103933346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).