(E)-3-(2-bromophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide

C19H27BrN2O2 — CID 43064141

IUPAC(E)-3-(2-bromophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide
SMILESCC1CN(C(C)(C)CNC(=O)/C=C/c2ccccc2Br)CC(C)O1
InChIInChI=1S/C19H27BrN2O2/c1-14-11-22(12-15(2)24-14)19(3,4)13-21-18(23)10-9-16-7-5-6-8-17(16)20/h5-10,14-15H,11-13H2,1-4H3,(H,21,23)/b10-9+
InChIKeyAPWDXBDCXLTNTQ-MDZDMXLPSA-N
MW395.34 g/mol
LogP3.47
Rot. Bonds5

About (E)-3-(2-bromophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide

(E)-3-(2-bromophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide (PubChem CID 43064141) has the molecular formula C19H27BrN2O2 and a molecular weight of 395.34 g/mol. Its IUPAC name is (E)-3-(2-bromophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-bromophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide
PubChem CID43064141
Molecular FormulaC19H27BrN2O2
Molecular Weight395.34 g/mol
Exact Mass394.13
IUPAC Name(E)-3-(2-bromophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide
SMILESCC1CN(C(C)(C)CNC(=O)/C=C/c2ccccc2Br)CC(C)O1
InChIInChI=1S/C19H27BrN2O2/c1-14-11-22(12-15(2)24-14)19(3,4)13-21-18(23)10-9-16-7-5-6-8-17(16)20/h5-10,14-15H,11-13H2,1-4H3,(H,21,23)/b10-9+
InChIKeyAPWDXBDCXLTNTQ-MDZDMXLPSA-N
XLogP3.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-bromophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide
CID 43064134
(E)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-(3-methylphenyl)prop-2-enamide
CID 30888907
(E)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 30888923
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide
CID 43064123
(E)-3-(2-bromophenyl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide
CID 103713244
(E)-3-(2-fluorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)prop-2-enamide
CID 46798514
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(2-bromophenyl)prop-2-enamide
CID 72688858
2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-phenylpropanamide
CID 120595010
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-phenoxyacetamide
CID 29298053
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-2-carboxamide
CID 29297646
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-iodobenzamide
CID 51532518
N-[2-[3-(2-bromophenyl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 78779594

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-bromophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-bromophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide (CID 43064141) is (E)-3-(2-bromophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-bromophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-bromophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide is CC1CN(C(C)(C)CNC(=O)/C=C/c2ccccc2Br)CC(C)O1.
What is the InChIKey of (E)-3-(2-bromophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide?
The InChIKey is APWDXBDCXLTNTQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H27BrN2O2/c1-14-11-22(12-15(2)24-14)19(3,4)13-21-18(23)10-9-16-7-5-6-8-17(16)20/h5-10,14-15H,11-13H2,1-4H3,(H,21,23)/b10-9+.
What are the key properties of (E)-3-(2-bromophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide?
(E)-3-(2-bromophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide has a molecular weight of 395.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-bromophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide is sourced from PubChem (CID 43064141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).