3-N-(5-acetyl-2-ethoxyphenyl)-1-N-hydroxy-4-methylbenzene-1,3-dicarboxamide

C19H20N2O5 — CID 164620621

IUPAC3-N-(5-acetyl-2-ethoxyphenyl)-1-N-hydroxy-4-methylbenzene-1,3-dicarboxamide
SMILESCCOc1ccc(C(C)=O)cc1NC(=O)c1cc(C(=O)NO)ccc1C
InChIInChI=1S/C19H20N2O5/c1-4-26-17-8-7-13(12(3)22)10-16(17)20-19(24)15-9-14(18(23)21-25)6-5-11(15)2/h5-10,25H,4H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyVXWRRICMEGNZFK-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.97
Rot. Bonds6

About 3-N-(5-acetyl-2-ethoxyphenyl)-1-N-hydroxy-4-methylbenzene-1,3-dicarboxamide

3-N-(5-acetyl-2-ethoxyphenyl)-1-N-hydroxy-4-methylbenzene-1,3-dicarboxamide (PubChem CID 164620621) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-N-(5-acetyl-2-ethoxyphenyl)-1-N-hydroxy-4-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(5-acetyl-2-ethoxyphenyl)-1-N-hydroxy-4-methylbenzene-1,3-dicarboxamide
PubChem CID164620621
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name3-N-(5-acetyl-2-ethoxyphenyl)-1-N-hydroxy-4-methylbenzene-1,3-dicarboxamide
SMILESCCOc1ccc(C(C)=O)cc1NC(=O)c1cc(C(=O)NO)ccc1C
InChIInChI=1S/C19H20N2O5/c1-4-26-17-8-7-13(12(3)22)10-16(17)20-19(24)15-9-14(18(23)21-25)6-5-11(15)2/h5-10,25H,4H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyVXWRRICMEGNZFK-UHFFFAOYSA-N
XLogP2.97
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-acetyl-2-ethoxyphenyl)-2-methylbenzamide
CID 82156333
methyl 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoate
CID 118626412
N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide
CID 94763103
3-N-(5-acetyl-2-methoxyphenyl)-4-chloro-1-N-hydroxybenzene-1,3-dicarboxamide
CID 164624154
5-amino-N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]-2-methylbenzamide
CID 120638221
methyl 5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-2-(2-methylpropoxy)benzoate
CID 118626481
N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide
CID 82156326
5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide
CID 61290409
N-(5-acetyl-2-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 82156351
1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141155437
3-benzamido-N-hydroxy-4-propoxybenzamide
CID 127046660
N-(5-acetyl-2-propoxyphenyl)-3-methylbenzamide
CID 94763143

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-acetyl-2-ethoxyphenyl)-1-N-hydroxy-4-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(5-acetyl-2-ethoxyphenyl)-1-N-hydroxy-4-methylbenzene-1,3-dicarboxamide (CID 164620621) is 3-N-(5-acetyl-2-ethoxyphenyl)-1-N-hydroxy-4-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(5-acetyl-2-ethoxyphenyl)-1-N-hydroxy-4-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(5-acetyl-2-ethoxyphenyl)-1-N-hydroxy-4-methylbenzene-1,3-dicarboxamide is CCOc1ccc(C(C)=O)cc1NC(=O)c1cc(C(=O)NO)ccc1C.
What is the InChIKey of 3-N-(5-acetyl-2-ethoxyphenyl)-1-N-hydroxy-4-methylbenzene-1,3-dicarboxamide?
The InChIKey is VXWRRICMEGNZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-4-26-17-8-7-13(12(3)22)10-16(17)20-19(24)15-9-14(18(23)21-25)6-5-11(15)2/h5-10,25H,4H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of 3-N-(5-acetyl-2-ethoxyphenyl)-1-N-hydroxy-4-methylbenzene-1,3-dicarboxamide?
3-N-(5-acetyl-2-ethoxyphenyl)-1-N-hydroxy-4-methylbenzene-1,3-dicarboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-acetyl-2-ethoxyphenyl)-1-N-hydroxy-4-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 164620621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).