(E)-3-(2,4-dichlorophenyl)-N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]prop-2-enamide

C18H24Cl2N2O2 — CID 39650100

IUPAC(E)-3-(2,4-dichlorophenyl)-N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]prop-2-enamide
SMILESC[C@@H]1CN([C@H](C)CNC(=O)/C=C/c2ccc(Cl)cc2Cl)C[C@@H](C)O1
InChIInChI=1S/C18H24Cl2N2O2/c1-12(22-10-13(2)24-14(3)11-22)9-21-18(23)7-5-15-4-6-16(19)8-17(15)20/h4-8,12-14H,9-11H2,1-3H3,(H,21,23)/b7-5+/t12-,13-,14-/m1/s1
InChIKeyBHCQBEMURIRTJE-OVMWZURDSA-N
MW371.31 g/mol
LogP3.62
Rot. Bonds5

About (E)-3-(2,4-dichlorophenyl)-N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]prop-2-enamide

(E)-3-(2,4-dichlorophenyl)-N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]prop-2-enamide (PubChem CID 39650100) has the molecular formula C18H24Cl2N2O2 and a molecular weight of 371.31 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]prop-2-enamide
PubChem CID39650100
Molecular FormulaC18H24Cl2N2O2
Molecular Weight371.31 g/mol
Exact Mass370.12
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]prop-2-enamide
SMILESC[C@@H]1CN([C@H](C)CNC(=O)/C=C/c2ccc(Cl)cc2Cl)C[C@@H](C)O1
InChIInChI=1S/C18H24Cl2N2O2/c1-12(22-10-13(2)24-14(3)11-22)9-21-18(23)7-5-15-4-6-16(19)8-17(15)20/h4-8,12-14H,9-11H2,1-3H3,(H,21,23)/b7-5+/t12-,13-,14-/m1/s1
InChIKeyBHCQBEMURIRTJE-OVMWZURDSA-N
XLogP3.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 53.62
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]prop-2-enamide (CID 39650100) is (E)-3-(2,4-dichlorophenyl)-N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]prop-2-enamide is C[C@@H]1CN([C@H](C)CNC(=O)/C=C/c2ccc(Cl)cc2Cl)C[C@@H](C)O1.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]prop-2-enamide?
The InChIKey is BHCQBEMURIRTJE-OVMWZURDSA-N. The full InChI is InChI=1S/C18H24Cl2N2O2/c1-12(22-10-13(2)24-14(3)11-22)9-21-18(23)7-5-15-4-6-16(19)8-17(15)20/h4-8,12-14H,9-11H2,1-3H3,(H,21,23)/b7-5+/t12-,13-,14-/m1/s1.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]prop-2-enamide?
(E)-3-(2,4-dichlorophenyl)-N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]prop-2-enamide has a molecular weight of 371.31 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]prop-2-enamide is sourced from PubChem (CID 39650100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).