ethyl 5-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoate

C29H34N2O5 — CID 4728056

IUPACethyl 5-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoate
SMILESCCOC(=O)c1cc(NCc2ccc(OCc3cccc(C)c3)c(OC)c2)ccc1N1CCOCC1
InChIInChI=1S/C29H34N2O5/c1-4-35-29(32)25-18-24(9-10-26(25)31-12-14-34-15-13-31)30-19-22-8-11-27(28(17-22)33-3)36-20-23-7-5-6-21(2)16-23/h5-11,16-18,30H,4,12-15,19-20H2,1-3H3
InChIKeyYXFNTSNZYPODEG-UHFFFAOYSA-N
MW490.60 g/mol
LogP5.21
Rot. Bonds10

About ethyl 5-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoate

ethyl 5-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoate (PubChem CID 4728056) has the molecular formula C29H34N2O5 and a molecular weight of 490.60 g/mol. Its IUPAC name is ethyl 5-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Nameethyl 5-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoate
PubChem CID4728056
Molecular FormulaC29H34N2O5
Molecular Weight490.60 g/mol
Exact Mass490.25
IUPAC Nameethyl 5-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoate
SMILESCCOC(=O)c1cc(NCc2ccc(OCc3cccc(C)c3)c(OC)c2)ccc1N1CCOCC1
InChIInChI=1S/C29H34N2O5/c1-4-35-29(32)25-18-24(9-10-26(25)31-12-14-34-15-13-31)30-19-22-8-11-27(28(17-22)33-3)36-20-23-7-5-6-21(2)16-23/h5-11,16-18,30H,4,12-15,19-20H2,1-3H3
InChIKeyYXFNTSNZYPODEG-UHFFFAOYSA-N
XLogP5.21
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 5-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoate with MolForge

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Related Compounds

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
methyl 5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoate
CID 4727980
ethyl 5-[(4-methylphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4728026
methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate
CID 2032115
methyl 5-[(4-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4727987
methyl 5-[(2-ethoxy-3-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 3162062
methyl 5-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate;hydrochloride
CID 163326508
ethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride
CID 163326534
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine
CID 4719784
methyl 5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 2997066
5-[(4-methylphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 7325755

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoate?
The IUPAC name of ethyl 5-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoate (CID 4728056) is ethyl 5-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoate.
What is the SMILES notation for ethyl 5-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoate?
The canonical SMILES for ethyl 5-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoate is CCOC(=O)c1cc(NCc2ccc(OCc3cccc(C)c3)c(OC)c2)ccc1N1CCOCC1.
What is the InChIKey of ethyl 5-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoate?
The InChIKey is YXFNTSNZYPODEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O5/c1-4-35-29(32)25-18-24(9-10-26(25)31-12-14-34-15-13-31)30-19-22-8-11-27(28(17-22)33-3)36-20-23-7-5-6-21(2)16-23/h5-11,16-18,30H,4,12-15,19-20H2,1-3H3.
What are the key properties of ethyl 5-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoate?
ethyl 5-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoate has a molecular weight of 490.60 g/mol, XLogP of 5.21, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 4728056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).