[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate

C28H30N2O6 — CID 24518315

IUPAC[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(OCc2ccccc2)cc1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C28H30N2O6/c31-27(29-24-8-6-22(7-9-24)18-30-14-16-33-17-15-30)20-36-28(32)21-35-26-12-10-25(11-13-26)34-19-23-4-2-1-3-5-23/h1-13H,14-21H2,(H,29,31)
InChIKeyAVHRVADYJMAZJQ-UHFFFAOYSA-N
MW490.56 g/mol
LogP3.66
Rot. Bonds11

About [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate

[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate (PubChem CID 24518315) has the molecular formula C28H30N2O6 and a molecular weight of 490.56 g/mol. Its IUPAC name is [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
PubChem CID24518315
Molecular FormulaC28H30N2O6
Molecular Weight490.56 g/mol
Exact Mass490.21
IUPAC Name[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(OCc2ccccc2)cc1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C28H30N2O6/c31-27(29-24-8-6-22(7-9-24)18-30-14-16-33-17-15-30)20-36-28(32)21-35-26-12-10-25(11-13-26)34-19-23-4-2-1-3-5-23/h1-13H,14-21H2,(H,29,31)
InChIKeyAVHRVADYJMAZJQ-UHFFFAOYSA-N
XLogP3.66
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 31184797
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-phenylbenzoate
CID 55530061
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 55970132
2-[4-(4-cyanophenyl)phenoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 18230254
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(3-methylphenoxy)acetate
CID 7853518
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
2-(3-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 78803811
2-(4-anilinophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 24652273
2-(2-ethoxyphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 108754559
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] cyclohexanecarboxylate
CID 26164487
benzyl N-[4-(2-morpholin-4-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836503

Frequently Asked Questions

What is the IUPAC name of [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The IUPAC name of [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate (CID 24518315) is [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate.
What is the SMILES notation for [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The canonical SMILES for [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate is O=C(COC(=O)COc1ccc(OCc2ccccc2)cc1)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The InChIKey is AVHRVADYJMAZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O6/c31-27(29-24-8-6-22(7-9-24)18-30-14-16-33-17-15-30)20-36-28(32)21-35-26-12-10-25(11-13-26)34-19-23-4-2-1-3-5-23/h1-13H,14-21H2,(H,29,31).
What are the key properties of [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate has a molecular weight of 490.56 g/mol, XLogP of 3.66, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate is sourced from PubChem (CID 24518315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).