(E)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide

C25H32N2O5 — CID 24505091

IUPAC(E)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(OC)c(OC)cc1/C=C/C(=O)NC(CN1CCOCC1)c1ccc(C)cc1
InChIInChI=1S/C25H32N2O5/c1-18-5-7-19(8-6-18)21(17-27-11-13-32-14-12-27)26-25(28)10-9-20-15-23(30-3)24(31-4)16-22(20)29-2/h5-10,15-16,21H,11-14,17H2,1-4H3,(H,26,28)/b10-9+
InChIKeyXZDBTDXEQNMHQU-MDZDMXLPSA-N
MW440.54 g/mol
LogP3.22
Rot. Bonds9

About (E)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 24505091) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is (E)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID24505091
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Name(E)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(OC)c(OC)cc1/C=C/C(=O)NC(CN1CCOCC1)c1ccc(C)cc1
InChIInChI=1S/C25H32N2O5/c1-18-5-7-19(8-6-18)21(17-27-11-13-32-14-12-27)26-25(28)10-9-20-15-23(30-3)24(31-4)16-22(20)29-2/h5-10,15-16,21H,11-14,17H2,1-4H3,(H,26,28)/b10-9+
InChIKeyXZDBTDXEQNMHQU-MDZDMXLPSA-N
XLogP3.22
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-methoxy-5-methylphenyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 24505100
(E)-3-(2,3-dimethoxyphenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144497
(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)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9144799
(E)-3-(4-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144485
(E)-3-(3-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144457
(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
CID 51568231
(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
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
CID 9150082
3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 9144477
2-(4-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144531

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide (CID 24505091) is (E)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(OC)c(OC)cc1/C=C/C(=O)NC(CN1CCOCC1)c1ccc(C)cc1.
What is the InChIKey of (E)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is XZDBTDXEQNMHQU-MDZDMXLPSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-18-5-7-19(8-6-18)21(17-27-11-13-32-14-12-27)26-25(28)10-9-20-15-23(30-3)24(31-4)16-22(20)29-2/h5-10,15-16,21H,11-14,17H2,1-4H3,(H,26,28)/b10-9+.
What are the key properties of (E)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 440.54 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 24505091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).