4-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenoxy]-N-methyl-N-prop-2-enylbut-2-en-1-amine

C23H27FN2O2 — CID 139966326

IUPAC4-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenoxy]-N-methyl-N-prop-2-enylbut-2-en-1-amine
SMILESC=CCN(C)CC=CCOc1ccc(C(C)=NOCc2ccc(F)cc2)cc1
InChIInChI=1S/C23H27FN2O2/c1-4-15-26(3)16-5-6-17-27-23-13-9-21(10-14-23)19(2)25-28-18-20-7-11-22(24)12-8-20/h4-14H,1,15-18H2,2-3H3
InChIKeyZAVLVZHDDIUOOD-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.82
Rot. Bonds11

About 4-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenoxy]-N-methyl-N-prop-2-enylbut-2-en-1-amine

4-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenoxy]-N-methyl-N-prop-2-enylbut-2-en-1-amine (PubChem CID 139966326) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 4-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenoxy]-N-methyl-N-prop-2-enylbut-2-en-1-amine.

Molecular Properties

Compound Name4-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenoxy]-N-methyl-N-prop-2-enylbut-2-en-1-amine
PubChem CID139966326
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name4-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenoxy]-N-methyl-N-prop-2-enylbut-2-en-1-amine
SMILESC=CCN(C)CC=CCOc1ccc(C(C)=NOCc2ccc(F)cc2)cc1
InChIInChI=1S/C23H27FN2O2/c1-4-15-26(3)16-5-6-17-27-23-13-9-21(10-14-23)19(2)25-28-18-20-7-11-22(24)12-8-20/h4-14H,1,15-18H2,2-3H3
InChIKeyZAVLVZHDDIUOOD-UHFFFAOYSA-N
XLogP4.82
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenoxy]-N-methyl-N-prop-2-enylbut-2-en-1-amine?
The IUPAC name of 4-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenoxy]-N-methyl-N-prop-2-enylbut-2-en-1-amine (CID 139966326) is 4-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenoxy]-N-methyl-N-prop-2-enylbut-2-en-1-amine.
What is the SMILES notation for 4-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenoxy]-N-methyl-N-prop-2-enylbut-2-en-1-amine?
The canonical SMILES for 4-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenoxy]-N-methyl-N-prop-2-enylbut-2-en-1-amine is C=CCN(C)CC=CCOc1ccc(C(C)=NOCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenoxy]-N-methyl-N-prop-2-enylbut-2-en-1-amine?
The InChIKey is ZAVLVZHDDIUOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-4-15-26(3)16-5-6-17-27-23-13-9-21(10-14-23)19(2)25-28-18-20-7-11-22(24)12-8-20/h4-14H,1,15-18H2,2-3H3.
What are the key properties of 4-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenoxy]-N-methyl-N-prop-2-enylbut-2-en-1-amine?
4-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenoxy]-N-methyl-N-prop-2-enylbut-2-en-1-amine has a molecular weight of 382.48 g/mol, XLogP of 4.82, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenoxy]-N-methyl-N-prop-2-enylbut-2-en-1-amine is sourced from PubChem (CID 139966326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).