(E)-3-(2-bromophenyl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide

C15H20BrNO2 — CID 103713244

IUPAC(E)-3-(2-bromophenyl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide
SMILESCCCC(C)(O)CNC(=O)/C=C/c1ccccc1Br
InChIInChI=1S/C15H20BrNO2/c1-3-10-15(2,19)11-17-14(18)9-8-12-6-4-5-7-13(12)16/h4-9,19H,3,10-11H2,1-2H3,(H,17,18)/b9-8+
InChIKeyFFQQSJSTUKQTDI-CMDGGOBGSA-N
MW326.23 g/mol
LogP3.13
Rot. Bonds6

About (E)-3-(2-bromophenyl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide

(E)-3-(2-bromophenyl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide (PubChem CID 103713244) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is (E)-3-(2-bromophenyl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-bromophenyl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide
PubChem CID103713244
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name(E)-3-(2-bromophenyl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide
SMILESCCCC(C)(O)CNC(=O)/C=C/c1ccccc1Br
InChIInChI=1S/C15H20BrNO2/c1-3-10-15(2,19)11-17-14(18)9-8-12-6-4-5-7-13(12)16/h4-9,19H,3,10-11H2,1-2H3,(H,17,18)/b9-8+
InChIKeyFFQQSJSTUKQTDI-CMDGGOBGSA-N
XLogP3.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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'}

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Related Compounds

(E)-N-(2-hydroxy-2-methylpentyl)-3-(2-methylphenyl)prop-2-enamide
CID 103712889
(E)-N-(2-hydroxy-2-methylpentyl)-3-(3-methylphenyl)prop-2-enamide
CID 103713336
(E)-N-(2-hydroxy-2-methylpentyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 113246004
(E)-3-(2-bromophenyl)-N-(2-ethylsulfonylethyl)prop-2-enamide
CID 51108653
3-bromo-2-chloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113363841
(E)-3-(2-bromophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide
CID 43064141
(E)-3-(2-bromophenyl)-N-methylprop-2-enamide
CID 47099867
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide
CID 103713325
N-[2-[3-(2-bromophenyl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 78779594
methyl 3-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]-2-hydroxypropanoate
CID 103879637
(E)-3-(2-chlorophenyl)-N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
CID 6258276
(E)-3-(2-bromophenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 65037251

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-bromophenyl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-bromophenyl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide (CID 103713244) is (E)-3-(2-bromophenyl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-bromophenyl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-bromophenyl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide is CCCC(C)(O)CNC(=O)/C=C/c1ccccc1Br.
What is the InChIKey of (E)-3-(2-bromophenyl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide?
The InChIKey is FFQQSJSTUKQTDI-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-3-10-15(2,19)11-17-14(18)9-8-12-6-4-5-7-13(12)16/h4-9,19H,3,10-11H2,1-2H3,(H,17,18)/b9-8+.
What are the key properties of (E)-3-(2-bromophenyl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide?
(E)-3-(2-bromophenyl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide has a molecular weight of 326.23 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-bromophenyl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide is sourced from PubChem (CID 103713244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).