(E)-3-(2-bromophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide

C15H20BrNO2 — CID 103861687

IUPAC(E)-3-(2-bromophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide
SMILESCC(CO)CCCNC(=O)/C=C/c1ccccc1Br
InChIInChI=1S/C15H20BrNO2/c1-12(11-18)5-4-10-17-15(19)9-8-13-6-2-3-7-14(13)16/h2-3,6-9,12,18H,4-5,10-11H2,1H3,(H,17,19)/b9-8+
InChIKeyXQCXTFOKIGLDEP-CMDGGOBGSA-N
MW326.23 g/mol
LogP2.99
Rot. Bonds7

About (E)-3-(2-bromophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide

(E)-3-(2-bromophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide (PubChem CID 103861687) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is (E)-3-(2-bromophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-bromophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide
PubChem CID103861687
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name(E)-3-(2-bromophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide
SMILESCC(CO)CCCNC(=O)/C=C/c1ccccc1Br
InChIInChI=1S/C15H20BrNO2/c1-12(11-18)5-4-10-17-15(19)9-8-13-6-2-3-7-14(13)16/h2-3,6-9,12,18H,4-5,10-11H2,1H3,(H,17,19)/b9-8+
InChIKeyXQCXTFOKIGLDEP-CMDGGOBGSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(2-bromophenyl)-N-(5-hydroxy-4-methylpentyl)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-(2-bromophenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 65037251
N-[2-[3-(2-bromophenyl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 78779594
(E)-3-(2,6-dichlorophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide
CID 103861642
(E)-N-(5-hydroxy-4-methylpentyl)-3-pyridin-3-ylprop-2-enamide
CID 113340817
(E)-3-(2-bromophenyl)-N-(2-ethylsulfonylethyl)prop-2-enamide
CID 51108653
(E)-3-(3,4-dichlorophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide
CID 103861421
(E)-3-(2-bromophenyl)-N-propan-2-ylprop-2-enamide
CID 18170609
tert-butyl N-[2-[3-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918840
(E)-3-(2-bromophenyl)-N-methylprop-2-enamide
CID 47099867
(E)-N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 103862368
5-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpentanoic acid
CID 104682529
3-(2-bromophenyl)-N-(2-hydroxy-1-phenylethyl)prop-2-enamide
CID 76988022

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-bromophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-bromophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide (CID 103861687) is (E)-3-(2-bromophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-bromophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-bromophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide is CC(CO)CCCNC(=O)/C=C/c1ccccc1Br.
What is the InChIKey of (E)-3-(2-bromophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide?
The InChIKey is XQCXTFOKIGLDEP-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-12(11-18)5-4-10-17-15(19)9-8-13-6-2-3-7-14(13)16/h2-3,6-9,12,18H,4-5,10-11H2,1H3,(H,17,19)/b9-8+.
What are the key properties of (E)-3-(2-bromophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide?
(E)-3-(2-bromophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide has a molecular weight of 326.23 g/mol, XLogP of 2.99, 7 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-(5-hydroxy-4-methylpentyl)prop-2-enamide is sourced from PubChem (CID 103861687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).