N-[2-(5-hydrazinyl-5-oxopentoxy)phenyl]acetamide

C13H19N3O3 — CID 63576193

IUPACN-[2-(5-hydrazinyl-5-oxopentoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCCCCC(=O)NN
InChIInChI=1S/C13H19N3O3/c1-10(17)15-11-6-2-3-7-12(11)19-9-5-4-8-13(18)16-14/h2-3,6-7H,4-5,8-9,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyMKXAXSALXHHOHM-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.18
Rot. Bonds7

About N-[2-(5-hydrazinyl-5-oxopentoxy)phenyl]acetamide

N-[2-(5-hydrazinyl-5-oxopentoxy)phenyl]acetamide (PubChem CID 63576193) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[2-(5-hydrazinyl-5-oxopentoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-hydrazinyl-5-oxopentoxy)phenyl]acetamide
PubChem CID63576193
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[2-(5-hydrazinyl-5-oxopentoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCCCCC(=O)NN
InChIInChI=1S/C13H19N3O3/c1-10(17)15-11-6-2-3-7-12(11)19-9-5-4-8-13(18)16-14/h2-3,6-7H,4-5,8-9,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyMKXAXSALXHHOHM-UHFFFAOYSA-N
XLogP1.18
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
N-[2-[10-(2-acetamidophenoxy)decoxy]phenyl]acetamide
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5-(2-ethoxyphenoxy)pentanehydrazide
CID 63575982
5-(2-ethylphenoxy)pentanehydrazide
CID 63569442
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
5-(2-prop-1-enylphenoxy)pentanehydrazide
CID 77002054
12-[2-(4-carboxybutoxy)anilino]-12-oxododecanoic acid
CID 18796099
5-(2-nitrophenoxy)pentanehydrazide
CID 63576866
4-(2-methoxyphenoxy)butanehydrazide
CID 63576005
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
N-[2-(4-oxo-4-phenylbutoxy)phenyl]acetamide
CID 13128525
N-[2-[2-(2-methylphenoxy)ethoxy]phenyl]acetamide
CID 9017902

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-hydrazinyl-5-oxopentoxy)phenyl]acetamide?
The IUPAC name of N-[2-(5-hydrazinyl-5-oxopentoxy)phenyl]acetamide (CID 63576193) is N-[2-(5-hydrazinyl-5-oxopentoxy)phenyl]acetamide.
What is the SMILES notation for N-[2-(5-hydrazinyl-5-oxopentoxy)phenyl]acetamide?
The canonical SMILES for N-[2-(5-hydrazinyl-5-oxopentoxy)phenyl]acetamide is CC(=O)Nc1ccccc1OCCCCC(=O)NN.
What is the InChIKey of N-[2-(5-hydrazinyl-5-oxopentoxy)phenyl]acetamide?
The InChIKey is MKXAXSALXHHOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10(17)15-11-6-2-3-7-12(11)19-9-5-4-8-13(18)16-14/h2-3,6-7H,4-5,8-9,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-(5-hydrazinyl-5-oxopentoxy)phenyl]acetamide?
N-[2-(5-hydrazinyl-5-oxopentoxy)phenyl]acetamide has a molecular weight of 265.31 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-hydrazinyl-5-oxopentoxy)phenyl]acetamide is sourced from PubChem (CID 63576193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).