methyl 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoate

C27H29FN2O5 — CID 4727980

IUPACmethyl 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(NCc2ccc(OCc3ccc(F)cc3)c(OC)c2)ccc1N1CCOCC1
InChIInChI=1S/C27H29FN2O5/c1-32-26-15-20(5-10-25(26)35-18-19-3-6-21(28)7-4-19)17-29-22-8-9-24(23(16-22)27(31)33-2)30-11-13-34-14-12-30/h3-10,15-16,29H,11-14,17-18H2,1-2H3
InChIKeyOZGBUCPHGXGCQF-UHFFFAOYSA-N
MW480.54 g/mol
LogP4.65
Rot. Bonds9

About methyl 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoate

methyl 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoate (PubChem CID 4727980) has the molecular formula C27H29FN2O5 and a molecular weight of 480.54 g/mol. Its IUPAC name is methyl 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoate
PubChem CID4727980
Molecular FormulaC27H29FN2O5
Molecular Weight480.54 g/mol
Exact Mass480.21
IUPAC Namemethyl 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(NCc2ccc(OCc3ccc(F)cc3)c(OC)c2)ccc1N1CCOCC1
InChIInChI=1S/C27H29FN2O5/c1-32-26-15-20(5-10-25(26)35-18-19-3-6-21(28)7-4-19)17-29-22-8-9-24(23(16-22)27(31)33-2)30-11-13-34-14-12-30/h3-10,15-16,29H,11-14,17-18H2,1-2H3
InChIKeyOZGBUCPHGXGCQF-UHFFFAOYSA-N
XLogP4.65
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze methyl 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoate with MolForge

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Related Compounds

methyl 5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 2997066
5-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid
CID 2985527
5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoic acid
CID 4727956
ethyl 5-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoate
CID 4728056
5-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoic acid
CID 4727933
methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate
CID 2032115
methyl 5-[(4-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4727987
3-chloro-N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-morpholin-4-ylaniline
CID 66540032
methyl 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 2039329
methyl 5-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate;hydrochloride
CID 163326508
methyl 5-[(2-ethoxy-3-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 3162062
methyl 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)methylamino]benzoate
CID 162656590

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoate?
The IUPAC name of methyl 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoate (CID 4727980) is methyl 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoate is COC(=O)c1cc(NCc2ccc(OCc3ccc(F)cc3)c(OC)c2)ccc1N1CCOCC1.
What is the InChIKey of methyl 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoate?
The InChIKey is OZGBUCPHGXGCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O5/c1-32-26-15-20(5-10-25(26)35-18-19-3-6-21(28)7-4-19)17-29-22-8-9-24(23(16-22)27(31)33-2)30-11-13-34-14-12-30/h3-10,15-16,29H,11-14,17-18H2,1-2H3.
What are the key properties of methyl 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoate?
methyl 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoate has a molecular weight of 480.54 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 4727980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).