N-phenylmethoxyacetohydrazide

C9H12N2O2 — CID 174450270

IUPACN-phenylmethoxyacetohydrazide
SMILESCC(=O)N(N)OCc1ccccc1
InChIInChI=1S/C9H12N2O2/c1-8(12)11(10)13-7-9-5-3-2-4-6-9/h2-6H,7,10H2,1H3
InChIKeyCYXNSIJKKCWPLE-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.84
Rot. Bonds3

About N-phenylmethoxyacetohydrazide

N-phenylmethoxyacetohydrazide (PubChem CID 174450270) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-phenylmethoxyacetohydrazide.

Molecular Properties

Compound NameN-phenylmethoxyacetohydrazide
PubChem CID174450270
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-phenylmethoxyacetohydrazide
SMILESCC(=O)N(N)OCc1ccccc1
InChIInChI=1S/C9H12N2O2/c1-8(12)11(10)13-7-9-5-3-2-4-6-9/h2-6H,7,10H2,1H3
InChIKeyCYXNSIJKKCWPLE-UHFFFAOYSA-N
XLogP0.84
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-hydroxy-N-phenylmethoxyacetamide
CID 173249339
benzyl N-acetyl-N-aminocarbamate
CID 67604274
benzyl acetate
CID 8785
3-[acetyl(phenylmethoxy)amino]propanoic acid
CID 10060062
acetic acid;phenylmethoxymethylbenzene
CID 175214238
benzyl acetate;carbamic acid
CID 159542161
benzyl acetate;molecular nitrogen
CID 174861862
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
N-(3-oxopropyl)-N-phenylmethoxyacetamide
CID 71545702
benzyl acetate;formonitrile
CID 175329925
benzyl N,N-dimethylcarbamate
CID 12963450
3-oxo-N-phenyl-N-phenylmethoxybutanamide
CID 12589379

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxyacetohydrazide?
The IUPAC name of N-phenylmethoxyacetohydrazide (CID 174450270) is N-phenylmethoxyacetohydrazide.
What is the SMILES notation for N-phenylmethoxyacetohydrazide?
The canonical SMILES for N-phenylmethoxyacetohydrazide is CC(=O)N(N)OCc1ccccc1.
What is the InChIKey of N-phenylmethoxyacetohydrazide?
The InChIKey is CYXNSIJKKCWPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-8(12)11(10)13-7-9-5-3-2-4-6-9/h2-6H,7,10H2,1H3.
What are the key properties of N-phenylmethoxyacetohydrazide?
N-phenylmethoxyacetohydrazide has a molecular weight of 180.21 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxyacetohydrazide is sourced from PubChem (CID 174450270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).