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

C15H19ClN2O2 — CID 108908321

IUPACN-[(E)-2-(4-chlorophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)N/C=C/c2ccc(Cl)cc2)CC(C)O1
InChIInChI=1S/C15H19ClN2O2/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+
InChIKeyHHXOCYZICYIOBR-BQYQJAHWSA-N
MW294.78 g/mol
LogP3.13
Rot. Bonds2

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

N-[(E)-2-(4-chlorophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 108908321) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[(E)-2-(4-chlorophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-(4-chlorophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID108908321
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[(E)-2-(4-chlorophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)N/C=C/c2ccc(Cl)cc2)CC(C)O1
InChIInChI=1S/C15H19ClN2O2/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+
InChIKeyHHXOCYZICYIOBR-BQYQJAHWSA-N
XLogP3.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E)-2-(4-bromophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108908691
4-acetyl-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide
CID 108908348
N-[(4-chlorophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108899201
N-[(E)-2-cyclopropylethenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108915704
N-(cyclopentylidenemethyl)-2,6-dimethylmorpholine-4-carboxamide
CID 108913466
4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]benzamide
CID 4779688
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
(2R,6R)-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 7548675
4-(benzenesulfonyl)-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide
CID 108908640
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-cyclopropylurea
CID 108908546
(E)-2-(4-chlorophenyl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-phenylprop-2-en-1-one
CID 99643485

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(4-chlorophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[(E)-2-(4-chlorophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide (CID 108908321) is N-[(E)-2-(4-chlorophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[(E)-2-(4-chlorophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[(E)-2-(4-chlorophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide is CC1CN(C(=O)N/C=C/c2ccc(Cl)cc2)CC(C)O1.
What is the InChIKey of N-[(E)-2-(4-chlorophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is HHXOCYZICYIOBR-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H19ClN2O2/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-chlorophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide?
N-[(E)-2-(4-chlorophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 3.13, 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-chlorophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 108908321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).