methyl 4-(2-ethoxyethoxy)-1-[[2-(2,3,4,6-tetramethylphenyl)acetyl]amino]cyclohexane-1-carboxylate

C24H37NO5 — CID 59381474

IUPACmethyl 4-(2-ethoxyethoxy)-1-[[2-(2,3,4,6-tetramethylphenyl)acetyl]amino]cyclohexane-1-carboxylate
SMILESCCOCCOC1CCC(NC(=O)Cc2c(C)cc(C)c(C)c2C)(C(=O)OC)CC1
InChIInChI=1S/C24H37NO5/c1-7-29-12-13-30-20-8-10-24(11-9-20,23(27)28-6)25-22(26)15-21-17(3)14-16(2)18(4)19(21)5/h14,20H,7-13,15H2,1-6H3,(H,25,26)
InChIKeyAYBWORFZQXVMOU-UHFFFAOYSA-N
MW419.56 g/mol
LogP3.49
Rot. Bonds9

About methyl 4-(2-ethoxyethoxy)-1-[[2-(2,3,4,6-tetramethylphenyl)acetyl]amino]cyclohexane-1-carboxylate

methyl 4-(2-ethoxyethoxy)-1-[[2-(2,3,4,6-tetramethylphenyl)acetyl]amino]cyclohexane-1-carboxylate (PubChem CID 59381474) has the molecular formula C24H37NO5 and a molecular weight of 419.56 g/mol. Its IUPAC name is methyl 4-(2-ethoxyethoxy)-1-[[2-(2,3,4,6-tetramethylphenyl)acetyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-ethoxyethoxy)-1-[[2-(2,3,4,6-tetramethylphenyl)acetyl]amino]cyclohexane-1-carboxylate
PubChem CID59381474
Molecular FormulaC24H37NO5
Molecular Weight419.56 g/mol
Exact Mass419.27
IUPAC Namemethyl 4-(2-ethoxyethoxy)-1-[[2-(2,3,4,6-tetramethylphenyl)acetyl]amino]cyclohexane-1-carboxylate
SMILESCCOCCOC1CCC(NC(=O)Cc2c(C)cc(C)c(C)c2C)(C(=O)OC)CC1
InChIInChI=1S/C24H37NO5/c1-7-29-12-13-30-20-8-10-24(11-9-20,23(27)28-6)25-22(26)15-21-17(3)14-16(2)18(4)19(21)5/h14,20H,7-13,15H2,1-6H3,(H,25,26)
InChIKeyAYBWORFZQXVMOU-UHFFFAOYSA-N
XLogP3.49
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.56
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-ethoxyethoxy)-1-[[2-(2,3,4,6-tetramethylphenyl)acetyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(2-ethoxyethoxy)-1-[[2-(2,3,4,6-tetramethylphenyl)acetyl]amino]cyclohexane-1-carboxylate (CID 59381474) is methyl 4-(2-ethoxyethoxy)-1-[[2-(2,3,4,6-tetramethylphenyl)acetyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(2-ethoxyethoxy)-1-[[2-(2,3,4,6-tetramethylphenyl)acetyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(2-ethoxyethoxy)-1-[[2-(2,3,4,6-tetramethylphenyl)acetyl]amino]cyclohexane-1-carboxylate is CCOCCOC1CCC(NC(=O)Cc2c(C)cc(C)c(C)c2C)(C(=O)OC)CC1.
What is the InChIKey of methyl 4-(2-ethoxyethoxy)-1-[[2-(2,3,4,6-tetramethylphenyl)acetyl]amino]cyclohexane-1-carboxylate?
The InChIKey is AYBWORFZQXVMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO5/c1-7-29-12-13-30-20-8-10-24(11-9-20,23(27)28-6)25-22(26)15-21-17(3)14-16(2)18(4)19(21)5/h14,20H,7-13,15H2,1-6H3,(H,25,26).
What are the key properties of methyl 4-(2-ethoxyethoxy)-1-[[2-(2,3,4,6-tetramethylphenyl)acetyl]amino]cyclohexane-1-carboxylate?
methyl 4-(2-ethoxyethoxy)-1-[[2-(2,3,4,6-tetramethylphenyl)acetyl]amino]cyclohexane-1-carboxylate has a molecular weight of 419.56 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-ethoxyethoxy)-1-[[2-(2,3,4,6-tetramethylphenyl)acetyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 59381474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).