methyl 2-[methyl-[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate

C23H27NO6 — CID 42055828

IUPACmethyl 2-[methyl-[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)COC(=O)COc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C23H27NO6/c1-15(2)18-11-10-17(12-16(18)3)29-14-22(26)30-13-21(25)24(4)20-9-7-6-8-19(20)23(27)28-5/h6-12,15H,13-14H2,1-5H3
InChIKeyYTSLPYLQLHCCHM-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.49
Rot. Bonds8

About methyl 2-[methyl-[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate

methyl 2-[methyl-[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate (PubChem CID 42055828) has the molecular formula C23H27NO6 and a molecular weight of 413.47 g/mol. Its IUPAC name is methyl 2-[methyl-[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate
PubChem CID42055828
Molecular FormulaC23H27NO6
Molecular Weight413.47 g/mol
Exact Mass413.18
IUPAC Namemethyl 2-[methyl-[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)COC(=O)COc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C23H27NO6/c1-15(2)18-11-10-17(12-16(18)3)29-14-22(26)30-13-21(25)24(4)20-9-7-6-8-19(20)23(27)28-5/h6-12,15H,13-14H2,1-5H3
InChIKeyYTSLPYLQLHCCHM-UHFFFAOYSA-N
XLogP3.49
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[methyl-[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]-3-phenylpropanoate
CID 46607100
2-(3-methyl-4-propan-2-ylphenoxy)ethyl 2-[methyl(methylsulfonyl)amino]benzoate
CID 18158355
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 46793931
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 8806310
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 46607186
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 46794045
[2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 8013845
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 24558114
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 8951493
methyl 3-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 730025
N-(1-hydroxypropan-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78857319
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 27970560

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate?
The IUPAC name of methyl 2-[methyl-[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate (CID 42055828) is methyl 2-[methyl-[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[methyl-[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 2-[methyl-[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate is COC(=O)c1ccccc1N(C)C(=O)COC(=O)COc1ccc(C(C)C)c(C)c1.
What is the InChIKey of methyl 2-[methyl-[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate?
The InChIKey is YTSLPYLQLHCCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO6/c1-15(2)18-11-10-17(12-16(18)3)29-14-22(26)30-13-21(25)24(4)20-9-7-6-8-19(20)23(27)28-5/h6-12,15H,13-14H2,1-5H3.
What are the key properties of methyl 2-[methyl-[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate?
methyl 2-[methyl-[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate has a molecular weight of 413.47 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 42055828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).