tert-butyl 3-[2-[4-[(2,3-dimethoxyphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoate

C27H37NO6 — CID 67032562

IUPACtert-butyl 3-[2-[4-[(2,3-dimethoxyphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoate
SMILESCOc1cccc(COc2ccc(C3CN(CCC(=O)OC(C)(C)C)CCO3)c(C)c2)c1OC
InChIInChI=1S/C27H37NO6/c1-19-16-21(33-18-20-8-7-9-23(30-5)26(20)31-6)10-11-22(19)24-17-28(14-15-32-24)13-12-25(29)34-27(2,3)4/h7-11,16,24H,12-15,17-18H2,1-6H3
InChIKeyWWVJQIHHZDUJGW-UHFFFAOYSA-N
MW471.59 g/mol
LogP4.70
Rot. Bonds9

About tert-butyl 3-[2-[4-[(2,3-dimethoxyphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoate

tert-butyl 3-[2-[4-[(2,3-dimethoxyphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoate (PubChem CID 67032562) has the molecular formula C27H37NO6 and a molecular weight of 471.59 g/mol. Its IUPAC name is tert-butyl 3-[2-[4-[(2,3-dimethoxyphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[2-[4-[(2,3-dimethoxyphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoate
PubChem CID67032562
Molecular FormulaC27H37NO6
Molecular Weight471.59 g/mol
Exact Mass471.26
IUPAC Nametert-butyl 3-[2-[4-[(2,3-dimethoxyphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoate
SMILESCOc1cccc(COc2ccc(C3CN(CCC(=O)OC(C)(C)C)CCO3)c(C)c2)c1OC
InChIInChI=1S/C27H37NO6/c1-19-16-21(33-18-20-8-7-9-23(30-5)26(20)31-6)10-11-22(19)24-17-28(14-15-32-24)13-12-25(29)34-27(2,3)4/h7-11,16,24H,12-15,17-18H2,1-6H3
InChIKeyWWVJQIHHZDUJGW-UHFFFAOYSA-N
XLogP4.70
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[4-[(2,3-dimethoxyphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoate?
The IUPAC name of tert-butyl 3-[2-[4-[(2,3-dimethoxyphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoate (CID 67032562) is tert-butyl 3-[2-[4-[(2,3-dimethoxyphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoate.
What is the SMILES notation for tert-butyl 3-[2-[4-[(2,3-dimethoxyphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoate?
The canonical SMILES for tert-butyl 3-[2-[4-[(2,3-dimethoxyphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoate is COc1cccc(COc2ccc(C3CN(CCC(=O)OC(C)(C)C)CCO3)c(C)c2)c1OC.
What is the InChIKey of tert-butyl 3-[2-[4-[(2,3-dimethoxyphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoate?
The InChIKey is WWVJQIHHZDUJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO6/c1-19-16-21(33-18-20-8-7-9-23(30-5)26(20)31-6)10-11-22(19)24-17-28(14-15-32-24)13-12-25(29)34-27(2,3)4/h7-11,16,24H,12-15,17-18H2,1-6H3.
What are the key properties of tert-butyl 3-[2-[4-[(2,3-dimethoxyphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoate?
tert-butyl 3-[2-[4-[(2,3-dimethoxyphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoate has a molecular weight of 471.59 g/mol, XLogP of 4.70, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[4-[(2,3-dimethoxyphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoate is sourced from PubChem (CID 67032562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).