4-[[5-(4-ethylphenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]methyl]morpholine

C25H30N2O2 — CID 86573409

IUPAC4-[[5-(4-ethylphenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]methyl]morpholine
SMILESCCc1ccc(-c2cc(CN3CCOCC3)c(C)n2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H30N2O2/c1-4-20-5-7-21(8-6-20)25-17-22(18-26-13-15-29-16-14-26)19(2)27(25)23-9-11-24(28-3)12-10-23/h5-12,17H,4,13-16,18H2,1-3H3
InChIKeyOVZNAAWNRFBZKY-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.86
Rot. Bonds6

About 4-[[5-(4-ethylphenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]methyl]morpholine

4-[[5-(4-ethylphenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]methyl]morpholine (PubChem CID 86573409) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-[[5-(4-ethylphenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(4-ethylphenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]methyl]morpholine
PubChem CID86573409
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name4-[[5-(4-ethylphenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]methyl]morpholine
SMILESCCc1ccc(-c2cc(CN3CCOCC3)c(C)n2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H30N2O2/c1-4-20-5-7-21(8-6-20)25-17-22(18-26-13-15-29-16-14-26)19(2)27(25)23-9-11-24(28-3)12-10-23/h5-12,17H,4,13-16,18H2,1-3H3
InChIKeyOVZNAAWNRFBZKY-UHFFFAOYSA-N
XLogP4.86
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-ethylphenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-(4-ethylphenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]methyl]morpholine (CID 86573409) is 4-[[5-(4-ethylphenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(4-ethylphenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-(4-ethylphenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]methyl]morpholine is CCc1ccc(-c2cc(CN3CCOCC3)c(C)n2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[[5-(4-ethylphenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]methyl]morpholine?
The InChIKey is OVZNAAWNRFBZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-4-20-5-7-21(8-6-20)25-17-22(18-26-13-15-29-16-14-26)19(2)27(25)23-9-11-24(28-3)12-10-23/h5-12,17H,4,13-16,18H2,1-3H3.
What are the key properties of 4-[[5-(4-ethylphenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]methyl]morpholine?
4-[[5-(4-ethylphenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]methyl]morpholine has a molecular weight of 390.53 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-ethylphenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]methyl]morpholine is sourced from PubChem (CID 86573409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).