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

C19H19NO5 — CID 118626412

IUPACmethyl 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoate
SMILESCCOc1ccc(C(C)=O)cc1NC(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C19H19NO5/c1-4-25-17-10-9-13(12(2)21)11-16(17)20-18(22)14-7-5-6-8-15(14)19(23)24-3/h5-11H,4H2,1-3H3,(H,20,22)
InChIKeyJTDLVXAYWXNAAU-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.33
Rot. Bonds6

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

methyl 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoate (PubChem CID 118626412) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is methyl 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoate
PubChem CID118626412
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namemethyl 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoate
SMILESCCOc1ccc(C(C)=O)cc1NC(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C19H19NO5/c1-4-25-17-10-9-13(12(2)21)11-16(17)20-18(22)14-7-5-6-8-15(14)19(23)24-3/h5-11H,4H2,1-3H3,(H,20,22)
InChIKeyJTDLVXAYWXNAAU-UHFFFAOYSA-N
XLogP3.33
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetyl-2-ethoxyphenyl)-2-methylbenzamide
CID 82156333
methyl 5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-2-(2-methylpropoxy)benzoate
CID 118626481
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-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 82156351
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141155437
methyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate
CID 18093375
N-(3-acetylphenyl)-2-ethoxybenzamide
CID 773754
N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide
CID 82156326
methyl 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-5-(tetrazol-1-yl)benzoate
CID 118626475
4-ethoxy-N,N-dimethyl-3-[(2-pyrrol-1-ylbenzoyl)amino]benzamide
CID 166323346

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoate?
The IUPAC name of methyl 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoate (CID 118626412) is methyl 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoate?
The canonical SMILES for methyl 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoate is CCOc1ccc(C(C)=O)cc1NC(=O)c1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoate?
The InChIKey is JTDLVXAYWXNAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-4-25-17-10-9-13(12(2)21)11-16(17)20-18(22)14-7-5-6-8-15(14)19(23)24-3/h5-11H,4H2,1-3H3,(H,20,22).
What are the key properties of methyl 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoate?
methyl 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoate has a molecular weight of 341.36 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoate is sourced from PubChem (CID 118626412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).