N-[(E)-2-(4-bromophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide

C15H19BrN2O2 — CID 108908691

IUPACN-[(E)-2-(4-bromophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)N/C=C/c2ccc(Br)cc2)CC(C)O1
InChIInChI=1S/C15H19BrN2O2/c1-11-9-18(10-12(2)20-11)15(19)17-8-7-13-3-5-14(16)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,17,19)/b8-7+
InChIKeyBGSVIMDAAGRYLT-BQYQJAHWSA-N
MW339.23 g/mol
LogP3.24
Rot. Bonds2

About N-[(E)-2-(4-bromophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide

N-[(E)-2-(4-bromophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 108908691) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is N-[(E)-2-(4-bromophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-(4-bromophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID108908691
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC NameN-[(E)-2-(4-bromophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)N/C=C/c2ccc(Br)cc2)CC(C)O1
InChIInChI=1S/C15H19BrN2O2/c1-11-9-18(10-12(2)20-11)15(19)17-8-7-13-3-5-14(16)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,17,19)/b8-7+
InChIKeyBGSVIMDAAGRYLT-BQYQJAHWSA-N
XLogP3.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E)-2-(4-chlorophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108908321
N-[(E)-2-(4-bromophenyl)ethenyl]-3-methylpiperidine-1-carboxamide
CID 108908820
3,5-dimethyl-N-[(E)-2-phenylethenyl]piperidine-1-carboxamide
CID 108903218
N-[(E)-2-cyclopropylethenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108915704
(E)-3-(4-bromophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide
CID 43064134
N-(cyclopentylidenemethyl)-2,6-dimethylmorpholine-4-carboxamide
CID 108913466
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
N-[(E)-2-(4-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 108908901
2-(4-bromoanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 17402101
4-[(E)-3-(2,6-dimethylmorpholin-4-yl)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134034300
1-[(E)-2-(4-bromophenyl)ethenyl]-3-propan-2-ylurea
CID 108908688
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(4-bromophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[(E)-2-(4-bromophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide (CID 108908691) is N-[(E)-2-(4-bromophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[(E)-2-(4-bromophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[(E)-2-(4-bromophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide is CC1CN(C(=O)N/C=C/c2ccc(Br)cc2)CC(C)O1.
What is the InChIKey of N-[(E)-2-(4-bromophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is BGSVIMDAAGRYLT-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-11-9-18(10-12(2)20-11)15(19)17-8-7-13-3-5-14(16)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,17,19)/b8-7+.
What are the key properties of N-[(E)-2-(4-bromophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide?
N-[(E)-2-(4-bromophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(4-bromophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 108908691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).