N'-acetyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetohydrazide

C12H16N2O5 — CID 3903060

IUPACN'-acetyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetohydrazide
SMILESCOc1cc(CO)ccc1OCC(=O)NNC(C)=O
InChIInChI=1S/C12H16N2O5/c1-8(16)13-14-12(17)7-19-10-4-3-9(6-15)5-11(10)18-2/h3-5,15H,6-7H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyODHXESJYVXMZLU-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.27
Rot. Bonds5

About N'-acetyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetohydrazide

N'-acetyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetohydrazide (PubChem CID 3903060) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is N'-acetyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetohydrazide
PubChem CID3903060
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC NameN'-acetyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetohydrazide
SMILESCOc1cc(CO)ccc1OCC(=O)NNC(C)=O
InChIInChI=1S/C12H16N2O5/c1-8(16)13-14-12(17)7-19-10-4-3-9(6-15)5-11(10)18-2/h3-5,15H,6-7H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyODHXESJYVXMZLU-UHFFFAOYSA-N
XLogP-0.27
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide
CID 799227
N-butyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide
CID 60627689
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 19621775
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide
CID 19621809
2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]prop-2-enoic acid
CID 107742387
2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61485467
2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide
CID 63000645
N'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide
CID 8844824
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
[3-methoxy-4-[2-[(propan-2-ylamino)methyl]prop-2-enoxy]phenyl]methanol
CID 107743674
[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol
CID 28562276
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetohydrazide?
The IUPAC name of N'-acetyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetohydrazide (CID 3903060) is N'-acetyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetohydrazide.
What is the SMILES notation for N'-acetyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetohydrazide?
The canonical SMILES for N'-acetyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetohydrazide is COc1cc(CO)ccc1OCC(=O)NNC(C)=O.
What is the InChIKey of N'-acetyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetohydrazide?
The InChIKey is ODHXESJYVXMZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-8(16)13-14-12(17)7-19-10-4-3-9(6-15)5-11(10)18-2/h3-5,15H,6-7H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N'-acetyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetohydrazide?
N'-acetyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetohydrazide has a molecular weight of 268.27 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetohydrazide is sourced from PubChem (CID 3903060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).