2-[2-[(1-benzylindazol-3-yl)methoxy]ethoxy]-N-hydroxyacetamide

C19H21N3O4 — CID 87271676

IUPAC2-[2-[(1-benzylindazol-3-yl)methoxy]ethoxy]-N-hydroxyacetamide
SMILESO=C(COCCOCc1nn(Cc2ccccc2)c2ccccc12)NO
InChIInChI=1S/C19H21N3O4/c23-19(21-24)14-26-11-10-25-13-17-16-8-4-5-9-18(16)22(20-17)12-15-6-2-1-3-7-15/h1-9,24H,10-14H2,(H,21,23)
InChIKeyCXJLBXZWYHHNKX-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.12
Rot. Bonds9

About 2-[2-[(1-benzylindazol-3-yl)methoxy]ethoxy]-N-hydroxyacetamide

2-[2-[(1-benzylindazol-3-yl)methoxy]ethoxy]-N-hydroxyacetamide (PubChem CID 87271676) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[2-[(1-benzylindazol-3-yl)methoxy]ethoxy]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[2-[(1-benzylindazol-3-yl)methoxy]ethoxy]-N-hydroxyacetamide
PubChem CID87271676
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-[2-[(1-benzylindazol-3-yl)methoxy]ethoxy]-N-hydroxyacetamide
SMILESO=C(COCCOCc1nn(Cc2ccccc2)c2ccccc12)NO
InChIInChI=1S/C19H21N3O4/c23-19(21-24)14-26-11-10-25-13-17-16-8-4-5-9-18(16)22(20-17)12-15-6-2-1-3-7-15/h1-9,24H,10-14H2,(H,21,23)
InChIKeyCXJLBXZWYHHNKX-UHFFFAOYSA-N
XLogP2.12
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-[3-[(1-benzylindazol-3-yl)methoxy]propoxy]-N-hydroxy-2-methylpropanamide
CID 87271873
2-[(1-benzylindazol-3-yl)methoxy]propanoic acid
CID 163783717
3-(1-benzylindazol-3-yl)propanal
CID 167222160
2-(1-benzylindazol-3-yl)oxyacetamide
CID 57182784
1-benzylindazole-3-carboxylate
CID 22239042
N-[(1-benzylindazol-3-yl)methyl]thiophene-2-carboxamide
CID 53164145
5-(1-benzylindazol-3-yl)furan-2-carboxylic acid
CID 10925187
(benzylamino) 5-(1-benzylindazol-3-yl)furan-2-carboxylate
CID 87493475
N-hydroxy-3-phenylmethoxypropanamide
CID 59082883
sodium 1-benzylindazol-3-olate
CID 23691647
(1-benzylindazol-3-yl)methanediol
CID 71016643
1-benzyl-3-ethynylindazole
CID 87472716

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-benzylindazol-3-yl)methoxy]ethoxy]-N-hydroxyacetamide?
The IUPAC name of 2-[2-[(1-benzylindazol-3-yl)methoxy]ethoxy]-N-hydroxyacetamide (CID 87271676) is 2-[2-[(1-benzylindazol-3-yl)methoxy]ethoxy]-N-hydroxyacetamide.
What is the SMILES notation for 2-[2-[(1-benzylindazol-3-yl)methoxy]ethoxy]-N-hydroxyacetamide?
The canonical SMILES for 2-[2-[(1-benzylindazol-3-yl)methoxy]ethoxy]-N-hydroxyacetamide is O=C(COCCOCc1nn(Cc2ccccc2)c2ccccc12)NO.
What is the InChIKey of 2-[2-[(1-benzylindazol-3-yl)methoxy]ethoxy]-N-hydroxyacetamide?
The InChIKey is CXJLBXZWYHHNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-19(21-24)14-26-11-10-25-13-17-16-8-4-5-9-18(16)22(20-17)12-15-6-2-1-3-7-15/h1-9,24H,10-14H2,(H,21,23).
What are the key properties of 2-[2-[(1-benzylindazol-3-yl)methoxy]ethoxy]-N-hydroxyacetamide?
2-[2-[(1-benzylindazol-3-yl)methoxy]ethoxy]-N-hydroxyacetamide has a molecular weight of 355.39 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-benzylindazol-3-yl)methoxy]ethoxy]-N-hydroxyacetamide is sourced from PubChem (CID 87271676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).