(E)-3-(2,3-dimethoxyphenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide

C24H30N2O4 — CID 9144497

IUPAC(E)-3-(2,3-dimethoxyphenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)c1OC
InChIInChI=1S/C24H30N2O4/c1-18-7-9-19(10-8-18)21(17-26-13-15-30-16-14-26)25-23(27)12-11-20-5-4-6-22(28-2)24(20)29-3/h4-12,21H,13-17H2,1-3H3,(H,25,27)/b12-11+/t21-/m1/s1
InChIKeyWOHSINIOOKZUEU-RJRNSMGGSA-N
MW410.51 g/mol
LogP3.22
Rot. Bonds8

About (E)-3-(2,3-dimethoxyphenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide

(E)-3-(2,3-dimethoxyphenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide (PubChem CID 9144497) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is (E)-3-(2,3-dimethoxyphenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dimethoxyphenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
PubChem CID9144497
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name(E)-3-(2,3-dimethoxyphenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)c1OC
InChIInChI=1S/C24H30N2O4/c1-18-7-9-19(10-8-18)21(17-26-13-15-30-16-14-26)25-23(27)12-11-20-5-4-6-22(28-2)24(20)29-3/h4-12,21H,13-17H2,1-3H3,(H,25,27)/b12-11+/t21-/m1/s1
InChIKeyWOHSINIOOKZUEU-RJRNSMGGSA-N
XLogP3.22
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-(2,3-dimethoxyphenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(2-methoxy-5-methylphenyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 24505100
(E)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 24505091
(E)-3-(3-methylphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144809
(E)-3-(3-methylphenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144807
(E)-3-(4-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144485
(E)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9144799
(E)-3-(3-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144457
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
CID 9150082
(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
CID 51568231
(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 9297337
(E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 24517387
2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144717

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dimethoxyphenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dimethoxyphenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide (CID 9144497) is (E)-3-(2,3-dimethoxyphenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dimethoxyphenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dimethoxyphenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide is COc1cccc(/C=C/C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)c1OC.
What is the InChIKey of (E)-3-(2,3-dimethoxyphenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide?
The InChIKey is WOHSINIOOKZUEU-RJRNSMGGSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-18-7-9-19(10-8-18)21(17-26-13-15-30-16-14-26)25-23(27)12-11-20-5-4-6-22(28-2)24(20)29-3/h4-12,21H,13-17H2,1-3H3,(H,25,27)/b12-11+/t21-/m1/s1.
What are the key properties of (E)-3-(2,3-dimethoxyphenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide?
(E)-3-(2,3-dimethoxyphenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide has a molecular weight of 410.51 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dimethoxyphenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide is sourced from PubChem (CID 9144497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).