N'-acetyl-4-phenoxybutanehydrazide

C12H16N2O3 — CID 30905746

IUPACN'-acetyl-4-phenoxybutanehydrazide
SMILESCC(=O)NNC(=O)CCCOc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-10(15)13-14-12(16)8-5-9-17-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,13,15)(H,14,16)
InChIKeyGAZIAMXOQKADEE-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.01
Rot. Bonds5

About N'-acetyl-4-phenoxybutanehydrazide

N'-acetyl-4-phenoxybutanehydrazide (PubChem CID 30905746) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N'-acetyl-4-phenoxybutanehydrazide.

Molecular Properties

Compound NameN'-acetyl-4-phenoxybutanehydrazide
PubChem CID30905746
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN'-acetyl-4-phenoxybutanehydrazide
SMILESCC(=O)NNC(=O)CCCOc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-10(15)13-14-12(16)8-5-9-17-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,13,15)(H,14,16)
InChIKeyGAZIAMXOQKADEE-UHFFFAOYSA-N
XLogP1.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-phenoxybutanoylamino) acetate
CID 175438575
N'-[2-(4-ethoxyphenoxy)propanoyl]-4-phenoxybutanehydrazide
CID 43003788
4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide
CID 7732785
N'-[2-(4-methoxyanilino)acetyl]-4-phenoxybutanehydrazide
CID 55350766
N'-acetyl-3-(3-methylphenoxy)propanehydrazide
CID 30905648
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
4-(diethylamino)-N'-(4-phenoxybutanoyl)benzohydrazide
CID 9156259
N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837131
N'-(4,6-dimethylpyrimidin-2-yl)-4-phenoxybutanehydrazide
CID 30131742
N'-acetyl-2-(4-phenylphenoxy)acetohydrazide
CID 3274977
N-(2-methylbutan-2-yl)-4-phenoxybutanamide
CID 17372829
N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
CID 83030039

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-4-phenoxybutanehydrazide?
The IUPAC name of N'-acetyl-4-phenoxybutanehydrazide (CID 30905746) is N'-acetyl-4-phenoxybutanehydrazide.
What is the SMILES notation for N'-acetyl-4-phenoxybutanehydrazide?
The canonical SMILES for N'-acetyl-4-phenoxybutanehydrazide is CC(=O)NNC(=O)CCCOc1ccccc1.
What is the InChIKey of N'-acetyl-4-phenoxybutanehydrazide?
The InChIKey is GAZIAMXOQKADEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-10(15)13-14-12(16)8-5-9-17-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N'-acetyl-4-phenoxybutanehydrazide?
N'-acetyl-4-phenoxybutanehydrazide has a molecular weight of 236.27 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-4-phenoxybutanehydrazide is sourced from PubChem (CID 30905746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).