[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate

C24H25NO6 — CID 18206466

IUPAC[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
SMILESCOc1cccc(CNC(=O)COC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1
InChIInChI=1S/C24H25NO6/c1-28-17-6-4-5-16(11-17)13-25-23(26)14-30-24(27)15-29-18-9-10-22-20(12-18)19-7-2-3-8-21(19)31-22/h4-6,9-12H,2-3,7-8,13-15H2,1H3,(H,25,26)
InChIKeyDDTJOYCHBVEHGT-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.56
Rot. Bonds8

About [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate (PubChem CID 18206466) has the molecular formula C24H25NO6 and a molecular weight of 423.47 g/mol. Its IUPAC name is [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate.

Molecular Properties

Compound Name[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
PubChem CID18206466
Molecular FormulaC24H25NO6
Molecular Weight423.47 g/mol
Exact Mass423.17
IUPAC Name[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
SMILESCOc1cccc(CNC(=O)COC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1
InChIInChI=1S/C24H25NO6/c1-28-17-6-4-5-16(11-17)13-25-23(26)14-30-24(27)15-29-18-9-10-22-20(12-18)19-7-2-3-8-21(19)31-22/h4-6,9-12H,2-3,7-8,13-15H2,1H3,(H,25,26)
InChIKeyDDTJOYCHBVEHGT-UHFFFAOYSA-N
XLogP3.56
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate with MolForge

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Related Compounds

2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 41261420
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 7842501
N-(4-methoxyphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 3772122
pyridin-3-ylmethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 71944710
(3-fluoro-4-methoxyphenyl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 18288272
methyl 2-[4-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]oxyphenyl]acetate
CID 8868175
N-[(4-nitrophenyl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 52702278
[4-(2-methoxyethyl)phenyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 8867276
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186827
N-ethoxy-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46536426
N-(pyridin-2-ylmethyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8880601
4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide
CID 7931288

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
The IUPAC name of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate (CID 18206466) is [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate.
What is the SMILES notation for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
The canonical SMILES for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate is COc1cccc(CNC(=O)COC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1.
What is the InChIKey of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
The InChIKey is DDTJOYCHBVEHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO6/c1-28-17-6-4-5-16(11-17)13-25-23(26)14-30-24(27)15-29-18-9-10-22-20(12-18)19-7-2-3-8-21(19)31-22/h4-6,9-12H,2-3,7-8,13-15H2,1H3,(H,25,26).
What are the key properties of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate has a molecular weight of 423.47 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate is sourced from PubChem (CID 18206466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).