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

C21H32N2O4 — CID 43064123

IUPAC(E)-3-(2,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCC(C)(C)N2CC(C)OC(C)C2)c(OC)c1
InChIInChI=1S/C21H32N2O4/c1-15-12-23(13-16(2)27-15)21(3,4)14-22-20(24)10-8-17-7-9-18(25-5)11-19(17)26-6/h7-11,15-16H,12-14H2,1-6H3,(H,22,24)/b10-8+
InChIKeyPHYPGQMTSGWXOA-CSKARUKUSA-N
MW376.50 g/mol
LogP2.72
Rot. Bonds7

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

(E)-3-(2,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide (PubChem CID 43064123) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is (E)-3-(2,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide
PubChem CID43064123
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name(E)-3-(2,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCC(C)(C)N2CC(C)OC(C)C2)c(OC)c1
InChIInChI=1S/C21H32N2O4/c1-15-12-23(13-16(2)27-15)21(3,4)14-22-20(24)10-8-17-7-9-18(25-5)11-19(17)26-6/h7-11,15-16H,12-14H2,1-6H3,(H,22,24)/b10-8+
InChIKeyPHYPGQMTSGWXOA-CSKARUKUSA-N
XLogP2.72
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-bromophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide
CID 43064141
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 8604510
(E)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-(3-methylphenyl)prop-2-enamide
CID 30888907
(E)-3-(4-bromophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide
CID 43064134
3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 78781003
(E)-3-(2,5-dimethoxyphenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 47099182
N-[3-(azepan-1-yl)propyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 76858477
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 1178359
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(2-methoxyphenyl)acetamide
CID 29295157
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(2-methoxyphenoxy)acetamide
CID 51931304
(E)-3-(3,5-dimethoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]prop-2-enamide
CID 60568930

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide (CID 43064123) is (E)-3-(2,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NCC(C)(C)N2CC(C)OC(C)C2)c(OC)c1.
What is the InChIKey of (E)-3-(2,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide?
The InChIKey is PHYPGQMTSGWXOA-CSKARUKUSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-15-12-23(13-16(2)27-15)21(3,4)14-22-20(24)10-8-17-7-9-18(25-5)11-19(17)26-6/h7-11,15-16H,12-14H2,1-6H3,(H,22,24)/b10-8+.
What are the key properties of (E)-3-(2,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide?
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide has a molecular weight of 376.50 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]prop-2-enamide is sourced from PubChem (CID 43064123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).