N-benzyl-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide

C17H18N2O4 — CID 57365590

IUPACN-benzyl-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C=NO)ccc1OCC(=O)NCc1ccccc1
InChIInChI=1S/C17H18N2O4/c1-22-16-9-14(11-19-21)7-8-15(16)23-12-17(20)18-10-13-5-3-2-4-6-13/h2-9,11,21H,10,12H2,1H3,(H,18,20)
InChIKeyDYXVBBLFFMYKLF-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.20
Rot. Bonds7

About N-benzyl-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide

N-benzyl-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide (PubChem CID 57365590) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-benzyl-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide
PubChem CID57365590
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-benzyl-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C=NO)ccc1OCC(=O)NCc1ccccc1
InChIInChI=1S/C17H18N2O4/c1-22-16-9-14(11-19-21)7-8-15(16)23-12-17(20)18-10-13-5-3-2-4-6-13/h2-9,11,21H,10,12H2,1H3,(H,18,20)
InChIKeyDYXVBBLFFMYKLF-UHFFFAOYSA-N
XLogP2.20
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N'-[[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]carbamimidothioate
CID 168612907
N-benzyl-2-[4-[(1,3-dioxoinden-2-ylidene)methyl]-2-methoxyphenoxy]acetamide
CID 1020513
N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126177562
N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
CID 126264857
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-benzyl-N'-[(Z)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126160542
2-[4-[(benzylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 110839716
N-benzyl-N'-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 126163320
N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 126253676
N-benzyl-2-[2-methoxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
CID 1305214
2-[4-[(E)-(benzylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2-chlorophenyl)acetamide
CID 16553739
2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid
CID 87800721

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide?
The IUPAC name of N-benzyl-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide (CID 57365590) is N-benzyl-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide?
The canonical SMILES for N-benzyl-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide is COc1cc(C=NO)ccc1OCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide?
The InChIKey is DYXVBBLFFMYKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-22-16-9-14(11-19-21)7-8-15(16)23-12-17(20)18-10-13-5-3-2-4-6-13/h2-9,11,21H,10,12H2,1H3,(H,18,20).
What are the key properties of N-benzyl-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide?
N-benzyl-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide has a molecular weight of 314.34 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 57365590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).