methyl 5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-2-(2-methylpropoxy)benzoate

C23H27NO6 — CID 118626481

IUPACmethyl 5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-2-(2-methylpropoxy)benzoate
SMILESCCOc1ccc(C(C)=O)cc1NC(=O)c1ccc(OCC(C)C)c(C(=O)OC)c1
InChIInChI=1S/C23H27NO6/c1-6-29-21-10-7-16(15(4)25)12-19(21)24-22(26)17-8-9-20(30-13-14(2)3)18(11-17)23(27)28-5/h7-12,14H,6,13H2,1-5H3,(H,24,26)
InChIKeyHJFBOSLRSINASS-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.36
Rot. Bonds9

About methyl 5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-2-(2-methylpropoxy)benzoate

methyl 5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-2-(2-methylpropoxy)benzoate (PubChem CID 118626481) has the molecular formula C23H27NO6 and a molecular weight of 413.47 g/mol. Its IUPAC name is methyl 5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-2-(2-methylpropoxy)benzoate.

Molecular Properties

Compound Namemethyl 5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-2-(2-methylpropoxy)benzoate
PubChem CID118626481
Molecular FormulaC23H27NO6
Molecular Weight413.47 g/mol
Exact Mass413.18
IUPAC Namemethyl 5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-2-(2-methylpropoxy)benzoate
SMILESCCOc1ccc(C(C)=O)cc1NC(=O)c1ccc(OCC(C)C)c(C(=O)OC)c1
InChIInChI=1S/C23H27NO6/c1-6-29-21-10-7-16(15(4)25)12-19(21)24-22(26)17-8-9-20(30-13-14(2)3)18(11-17)23(27)28-5/h7-12,14H,6,13H2,1-5H3,(H,24,26)
InChIKeyHJFBOSLRSINASS-UHFFFAOYSA-N
XLogP4.36
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-2-(2-methylpropoxy)benzoate with MolForge

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Related Compounds

methyl 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoate
CID 118626412
N-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 9095687
methyl 3-acetyl-4-(2-methylpropoxy)benzoate
CID 97033851
3-N-(5-acetyl-2-ethoxyphenyl)-1-N-hydroxy-4-methylbenzene-1,3-dicarboxamide
CID 164620621
N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide
CID 94763103
N-[5-acetyl-2-(2-methylpropoxy)phenyl]-2,2,2-trifluoroacetamide
CID 82156457
N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 2549012
N-(5-acetyl-2-ethoxyphenyl)-2-methylbenzamide
CID 82156333
N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclopropanecarboxamide
CID 82156444
3-ethoxy-N-(2-fluorophenyl)-4-(2-methylpropoxy)benzamide
CID 9413695
methyl 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-5-(tetrazol-1-yl)benzoate
CID 118626475
N-(3,5-dimethoxyphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 9096664

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-2-(2-methylpropoxy)benzoate?
The IUPAC name of methyl 5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-2-(2-methylpropoxy)benzoate (CID 118626481) is methyl 5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-2-(2-methylpropoxy)benzoate.
What is the SMILES notation for methyl 5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-2-(2-methylpropoxy)benzoate?
The canonical SMILES for methyl 5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-2-(2-methylpropoxy)benzoate is CCOc1ccc(C(C)=O)cc1NC(=O)c1ccc(OCC(C)C)c(C(=O)OC)c1.
What is the InChIKey of methyl 5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-2-(2-methylpropoxy)benzoate?
The InChIKey is HJFBOSLRSINASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO6/c1-6-29-21-10-7-16(15(4)25)12-19(21)24-22(26)17-8-9-20(30-13-14(2)3)18(11-17)23(27)28-5/h7-12,14H,6,13H2,1-5H3,(H,24,26).
What are the key properties of methyl 5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-2-(2-methylpropoxy)benzoate?
methyl 5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-2-(2-methylpropoxy)benzoate has a molecular weight of 413.47 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-2-(2-methylpropoxy)benzoate is sourced from PubChem (CID 118626481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).