3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide

C20H22N2O2 — CID 75618828

IUPAC3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
SMILESCc1cccc(C=CC(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C20H22N2O2/c1-16-5-4-6-17(15-16)9-10-20(23)21-18-7-2-3-8-19(18)22-11-13-24-14-12-22/h2-10,15H,11-14H2,1H3,(H,21,23)
InChIKeyNRDHLKXTKJDZKX-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.48
Rot. Bonds4

About 3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide

3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide (PubChem CID 75618828) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
PubChem CID75618828
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
SMILESCc1cccc(C=CC(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C20H22N2O2/c1-16-5-4-6-17(15-16)9-10-20(23)21-18-7-2-3-8-19(18)22-11-13-24-14-12-22/h2-10,15H,11-14H2,1H3,(H,21,23)
InChIKeyNRDHLKXTKJDZKX-UHFFFAOYSA-N
XLogP3.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.48
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)-N-(2-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 6253583
(E)-3-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 18227019
(E)-N-(2-morpholin-4-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1291388
(E)-N-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7922277
3-(3,4-diethoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 78780835
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 51297180
2-[(3-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 108996829
(E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
CID 7550935
1-(2,4-dimethylphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108991302
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
(E)-3-(3-methylphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 48664048
N-hydroxy-3-[3-[3-(2-methyl-3-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 173066122

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide?
The IUPAC name of 3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide (CID 75618828) is 3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide?
The canonical SMILES for 3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide is Cc1cccc(C=CC(=O)Nc2ccccc2N2CCOCC2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide?
The InChIKey is NRDHLKXTKJDZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-16-5-4-6-17(15-16)9-10-20(23)21-18-7-2-3-8-19(18)22-11-13-24-14-12-22/h2-10,15H,11-14H2,1H3,(H,21,23).
What are the key properties of 3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide?
3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide has a molecular weight of 322.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide is sourced from PubChem (CID 75618828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).