2-[(3-formylphenyl)methyl-[(4-methoxyphenyl)methyl]amino]-N-hydroxyacetamide

C18H20N2O4 — CID 166776144

IUPAC2-[(3-formylphenyl)methyl-[(4-methoxyphenyl)methyl]amino]-N-hydroxyacetamide
SMILESCOc1ccc(CN(CC(=O)NO)Cc2cccc(C=O)c2)cc1
InChIInChI=1S/C18H20N2O4/c1-24-17-7-5-14(6-8-17)10-20(12-18(22)19-23)11-15-3-2-4-16(9-15)13-21/h2-9,13,23H,10-12H2,1H3,(H,19,22)
InChIKeyQPBFMYHXQBAIPU-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.02
Rot. Bonds8

About 2-[(3-formylphenyl)methyl-[(4-methoxyphenyl)methyl]amino]-N-hydroxyacetamide

2-[(3-formylphenyl)methyl-[(4-methoxyphenyl)methyl]amino]-N-hydroxyacetamide (PubChem CID 166776144) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[(3-formylphenyl)methyl-[(4-methoxyphenyl)methyl]amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(3-formylphenyl)methyl-[(4-methoxyphenyl)methyl]amino]-N-hydroxyacetamide
PubChem CID166776144
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-[(3-formylphenyl)methyl-[(4-methoxyphenyl)methyl]amino]-N-hydroxyacetamide
SMILESCOc1ccc(CN(CC(=O)NO)Cc2cccc(C=O)c2)cc1
InChIInChI=1S/C18H20N2O4/c1-24-17-7-5-14(6-8-17)10-20(12-18(22)19-23)11-15-3-2-4-16(9-15)13-21/h2-9,13,23H,10-12H2,1H3,(H,19,22)
InChIKeyQPBFMYHXQBAIPU-UHFFFAOYSA-N
XLogP2.02
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methanol;methyl 3-[[(3-formylphenyl)methyl-[2-(hydroxyamino)-2-oxoethyl]amino]methyl]benzoate
CID 145386534
N-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide
CID 106912590
[[2-(hydroxyamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]methyl-methylphosphinic acid
CID 142100389
methyl 3-[[(3-acetylphenyl)methyl-[2-(hydroxyamino)-2-oxoethyl]amino]methyl]benzoate
CID 158019446
3-[[bis(2-methoxyethyl)amino]methyl]benzaldehyde
CID 84758482
methyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60565339
2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 55986734
2-[(4-methoxyphenyl)methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]-N-(3-nitrophenyl)acetamide
CID 3933915
3-formyl-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 141386769
2-[bis[(4-fluoro-3-hydroxyphenyl)methyl]amino]-N-hydroxyacetamide;3-[[(3-ethoxycarbonylphenyl)methyl-[2-(hydroxyamino)-2-oxoethyl]amino]methyl]benzoic acid;3-[[(4-hydroxy-3-oxobutyl)-[(4-methoxyphenyl)methyl]amino]methyl]benzoic acid
CID 159938813
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
N-(4-acetamidophenyl)-2-[ethyl-[(3-methoxyphenyl)methyl]amino]acetamide
CID 8779580

Frequently Asked Questions

What is the IUPAC name of 2-[(3-formylphenyl)methyl-[(4-methoxyphenyl)methyl]amino]-N-hydroxyacetamide?
The IUPAC name of 2-[(3-formylphenyl)methyl-[(4-methoxyphenyl)methyl]amino]-N-hydroxyacetamide (CID 166776144) is 2-[(3-formylphenyl)methyl-[(4-methoxyphenyl)methyl]amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(3-formylphenyl)methyl-[(4-methoxyphenyl)methyl]amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[(3-formylphenyl)methyl-[(4-methoxyphenyl)methyl]amino]-N-hydroxyacetamide is COc1ccc(CN(CC(=O)NO)Cc2cccc(C=O)c2)cc1.
What is the InChIKey of 2-[(3-formylphenyl)methyl-[(4-methoxyphenyl)methyl]amino]-N-hydroxyacetamide?
The InChIKey is QPBFMYHXQBAIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-24-17-7-5-14(6-8-17)10-20(12-18(22)19-23)11-15-3-2-4-16(9-15)13-21/h2-9,13,23H,10-12H2,1H3,(H,19,22).
What are the key properties of 2-[(3-formylphenyl)methyl-[(4-methoxyphenyl)methyl]amino]-N-hydroxyacetamide?
2-[(3-formylphenyl)methyl-[(4-methoxyphenyl)methyl]amino]-N-hydroxyacetamide has a molecular weight of 328.37 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-formylphenyl)methyl-[(4-methoxyphenyl)methyl]amino]-N-hydroxyacetamide is sourced from PubChem (CID 166776144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).