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

C23H28N2O2 — CID 9144809

IUPAC(E)-3-(3-methylphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
SMILESCc1ccc([C@H](CN2CCOCC2)NC(=O)/C=C/c2cccc(C)c2)cc1
InChIInChI=1S/C23H28N2O2/c1-18-6-9-21(10-7-18)22(17-25-12-14-27-15-13-25)24-23(26)11-8-20-5-3-4-19(2)16-20/h3-11,16,22H,12-15,17H2,1-2H3,(H,24,26)/b11-8+/t22-/m0/s1
InChIKeyKNYPDQCAZBNGJJ-NJTIBFSMSA-N
MW364.49 g/mol
LogP3.51
Rot. Bonds6

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

(E)-3-(3-methylphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide (PubChem CID 9144809) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (E)-3-(3-methylphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methylphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
PubChem CID9144809
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(E)-3-(3-methylphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
SMILESCc1ccc([C@H](CN2CCOCC2)NC(=O)/C=C/c2cccc(C)c2)cc1
InChIInChI=1S/C23H28N2O2/c1-18-6-9-21(10-7-18)22(17-25-12-14-27-15-13-25)24-23(26)11-8-20-5-3-4-19(2)16-20/h3-11,16,22H,12-15,17H2,1-2H3,(H,24,26)/b11-8+/t22-/m0/s1
InChIKeyKNYPDQCAZBNGJJ-NJTIBFSMSA-N
XLogP3.51
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 ≤ 53.51
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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Related Compounds

(E)-3-(3-methylphenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144807
(E)-3-(3-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144457
(E)-3-(4-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144485
(E)-3-(3-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
CID 9148657
(E)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9144799
(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)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 24505091
(E)-3-(3-methylphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 48664048
(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-[2,5-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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methylphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-methylphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide (CID 9144809) is (E)-3-(3-methylphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-methylphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-methylphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide is Cc1ccc([C@H](CN2CCOCC2)NC(=O)/C=C/c2cccc(C)c2)cc1.
What is the InChIKey of (E)-3-(3-methylphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide?
The InChIKey is KNYPDQCAZBNGJJ-NJTIBFSMSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-18-6-9-21(10-7-18)22(17-25-12-14-27-15-13-25)24-23(26)11-8-20-5-3-4-19(2)16-20/h3-11,16,22H,12-15,17H2,1-2H3,(H,24,26)/b11-8+/t22-/m0/s1.
What are the key properties of (E)-3-(3-methylphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide?
(E)-3-(3-methylphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide has a molecular weight of 364.49 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methylphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide is sourced from PubChem (CID 9144809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).