(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide

C23H28N2O2 — CID 6181572

IUPAC(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(/C=C/C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C23H28N2O2/c1-18(2)21-8-3-19(4-9-21)7-12-23(26)24-22-10-5-20(6-11-22)17-25-13-15-27-16-14-25/h3-12,18H,13-17H2,1-2H3,(H,24,26)/b12-7+
InChIKeyUXSFMQBKNOKCDA-KPKJPENVSA-N
MW364.49 g/mol
LogP4.29
Rot. Bonds6

About (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide

(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 6181572) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID6181572
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(/C=C/C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C23H28N2O2/c1-18(2)21-8-3-19(4-9-21)7-12-23(26)24-22-10-5-20(6-11-22)17-25-13-15-27-16-14-25/h3-12,18H,13-17H2,1-2H3,(H,24,26)/b12-7+
InChIKeyUXSFMQBKNOKCDA-KPKJPENVSA-N
XLogP4.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.29
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)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 6181572) is (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide is CC(C)c1ccc(/C=C/C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is UXSFMQBKNOKCDA-KPKJPENVSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-18(2)21-8-3-19(4-9-21)7-12-23(26)24-22-10-5-20(6-11-22)17-25-13-15-27-16-14-25/h3-12,18H,13-17H2,1-2H3,(H,24,26)/b12-7+.
What are the key properties of (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 364.49 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 6181572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).