acetohydrazide;N-phenylacetamide;hydrate

C10H17N3O3 — CID 174786539

IUPACacetohydrazide;N-phenylacetamide;hydrate
SMILESCC(=O)NN.CC(=O)Nc1ccccc1.O
InChIInChI=1S/C8H9NO.C2H6N2O.H2O/c1-7(10)9-8-5-3-2-4-6-8;1-2(5)4-3;/h2-6H,1H3,(H,9,10);3H2,1H3,(H,4,5);1H2
InChIKeyPAEFRKGYTDWKSS-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.18
Rot. Bonds1

About acetohydrazide;N-phenylacetamide;hydrate

acetohydrazide;N-phenylacetamide;hydrate (PubChem CID 174786539) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is acetohydrazide;N-phenylacetamide;hydrate.

Molecular Properties

Compound Nameacetohydrazide;N-phenylacetamide;hydrate
PubChem CID174786539
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Nameacetohydrazide;N-phenylacetamide;hydrate
SMILESCC(=O)NN.CC(=O)Nc1ccccc1.O
InChIInChI=1S/C8H9NO.C2H6N2O.H2O/c1-7(10)9-8-5-3-2-4-6-8;1-2(5)4-3;/h2-6H,1H3,(H,9,10);3H2,1H3,(H,4,5);1H2
InChIKeyPAEFRKGYTDWKSS-UHFFFAOYSA-N
XLogP-0.18
TPSA115.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
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'}

Analyze acetohydrazide;N-phenylacetamide;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cobalt;N-phenylacetamide
CID 158689050
acetyl bromide;N-phenylacetamide
CID 175285562
N-phenylacetamide;toluene
CID 175205531
deuteriomethane;ethane;N-phenylacetamide
CID 91156750
nitrous acid;N-phenylacetamide
CID 174797407
N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741
N-methylethanamine;N-phenylacetamide
CID 156841550
phenoxybenzene;N-phenylacetamide
CID 174350344
N-phenylacetamide;trifluoromethanesulfonamide
CID 174361044
N-(4-phenylphenyl)acetamide
CID 19998
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
N-[3-(hydrazinecarbonylamino)phenyl]acetamide
CID 82283644

Frequently Asked Questions

What is the IUPAC name of acetohydrazide;N-phenylacetamide;hydrate?
The IUPAC name of acetohydrazide;N-phenylacetamide;hydrate (CID 174786539) is acetohydrazide;N-phenylacetamide;hydrate.
What is the SMILES notation for acetohydrazide;N-phenylacetamide;hydrate?
The canonical SMILES for acetohydrazide;N-phenylacetamide;hydrate is CC(=O)NN.CC(=O)Nc1ccccc1.O.
What is the InChIKey of acetohydrazide;N-phenylacetamide;hydrate?
The InChIKey is PAEFRKGYTDWKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C2H6N2O.H2O/c1-7(10)9-8-5-3-2-4-6-8;1-2(5)4-3;/h2-6H,1H3,(H,9,10);3H2,1H3,(H,4,5);1H2.
What are the key properties of acetohydrazide;N-phenylacetamide;hydrate?
acetohydrazide;N-phenylacetamide;hydrate has a molecular weight of 227.26 g/mol, XLogP of -0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetohydrazide;N-phenylacetamide;hydrate is sourced from PubChem (CID 174786539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).