N-[4-methyl-3-[1-(4-morpholin-4-ylphenyl)ethenyl]phenyl]formamide

C20H22N2O2 — CID 134567230

IUPACN-[4-methyl-3-[1-(4-morpholin-4-ylphenyl)ethenyl]phenyl]formamide
SMILESC=C(c1ccc(N2CCOCC2)cc1)c1cc(NC=O)ccc1C
InChIInChI=1S/C20H22N2O2/c1-15-3-6-18(21-14-23)13-20(15)16(2)17-4-7-19(8-5-17)22-9-11-24-12-10-22/h3-8,13-14H,2,9-12H2,1H3,(H,21,23)
InChIKeyHUISEAUJFKUKIG-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.46
Rot. Bonds5

About N-[4-methyl-3-[1-(4-morpholin-4-ylphenyl)ethenyl]phenyl]formamide

N-[4-methyl-3-[1-(4-morpholin-4-ylphenyl)ethenyl]phenyl]formamide (PubChem CID 134567230) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[4-methyl-3-[1-(4-morpholin-4-ylphenyl)ethenyl]phenyl]formamide.

Molecular Properties

Compound NameN-[4-methyl-3-[1-(4-morpholin-4-ylphenyl)ethenyl]phenyl]formamide
PubChem CID134567230
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[4-methyl-3-[1-(4-morpholin-4-ylphenyl)ethenyl]phenyl]formamide
SMILESC=C(c1ccc(N2CCOCC2)cc1)c1cc(NC=O)ccc1C
InChIInChI=1S/C20H22N2O2/c1-15-3-6-18(21-14-23)13-20(15)16(2)17-4-7-19(8-5-17)22-9-11-24-12-10-22/h3-8,13-14H,2,9-12H2,1H3,(H,21,23)
InChIKeyHUISEAUJFKUKIG-UHFFFAOYSA-N
XLogP3.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 17467075
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
N-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]formamide
CID 172863969
N-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]formamide
CID 156561074
methyl 4-methyl-3-[(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzoate
CID 126103179
4-[4-(1-fluoroethenyl)phenyl]morpholine
CID 125492138
4-[4-[1-(4-morpholin-4-ylphenyl)buta-1,3-dienyl]phenyl]morpholine
CID 21292693
4-[4-[(E)-3-(4-morpholin-4-ylphenyl)but-2-en-2-yl]phenyl]morpholine
CID 15946701
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
(5-formamido-2-methylphenyl)boronic acid
CID 168652597
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one
CID 146007688

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[1-(4-morpholin-4-ylphenyl)ethenyl]phenyl]formamide?
The IUPAC name of N-[4-methyl-3-[1-(4-morpholin-4-ylphenyl)ethenyl]phenyl]formamide (CID 134567230) is N-[4-methyl-3-[1-(4-morpholin-4-ylphenyl)ethenyl]phenyl]formamide.
What is the SMILES notation for N-[4-methyl-3-[1-(4-morpholin-4-ylphenyl)ethenyl]phenyl]formamide?
The canonical SMILES for N-[4-methyl-3-[1-(4-morpholin-4-ylphenyl)ethenyl]phenyl]formamide is C=C(c1ccc(N2CCOCC2)cc1)c1cc(NC=O)ccc1C.
What is the InChIKey of N-[4-methyl-3-[1-(4-morpholin-4-ylphenyl)ethenyl]phenyl]formamide?
The InChIKey is HUISEAUJFKUKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15-3-6-18(21-14-23)13-20(15)16(2)17-4-7-19(8-5-17)22-9-11-24-12-10-22/h3-8,13-14H,2,9-12H2,1H3,(H,21,23).
What are the key properties of N-[4-methyl-3-[1-(4-morpholin-4-ylphenyl)ethenyl]phenyl]formamide?
N-[4-methyl-3-[1-(4-morpholin-4-ylphenyl)ethenyl]phenyl]formamide has a molecular weight of 322.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[1-(4-morpholin-4-ylphenyl)ethenyl]phenyl]formamide is sourced from PubChem (CID 134567230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).