N'-acetyl-3-(3-methylphenoxy)propanehydrazide

C12H16N2O3 — CID 30905648

IUPACN'-acetyl-3-(3-methylphenoxy)propanehydrazide
SMILESCC(=O)NNC(=O)CCOc1cccc(C)c1
InChIInChI=1S/C12H16N2O3/c1-9-4-3-5-11(8-9)17-7-6-12(16)14-13-10(2)15/h3-5,8H,6-7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyABRBDKAORYFTNF-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.93
Rot. Bonds4

About N'-acetyl-3-(3-methylphenoxy)propanehydrazide

N'-acetyl-3-(3-methylphenoxy)propanehydrazide (PubChem CID 30905648) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N'-acetyl-3-(3-methylphenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-acetyl-3-(3-methylphenoxy)propanehydrazide
PubChem CID30905648
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN'-acetyl-3-(3-methylphenoxy)propanehydrazide
SMILESCC(=O)NNC(=O)CCOc1cccc(C)c1
InChIInChI=1S/C12H16N2O3/c1-9-4-3-5-11(8-9)17-7-6-12(16)14-13-10(2)15/h3-5,8H,6-7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyABRBDKAORYFTNF-UHFFFAOYSA-N
XLogP0.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
3-(3-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
CID 9418079
(2S)-2-(4-fluorophenoxy)-N'-[3-(3-methylphenoxy)propanoyl]propanehydrazide
CID 7964944
3-(3-methylphenoxy)-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
CID 43005484
N-(2-methoxyethoxy)-3-(3-methylphenoxy)propanamide
CID 79676153
N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653
N'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide
CID 26798980
1-hydroxy-4-(3-methylphenoxy)butan-2-one
CID 95437359
N'-acetyl-4-phenoxybutanehydrazide
CID 30905746
N,N-dimethyl-3-(3-methylphenoxy)propanamide
CID 60637097
N-(1-chloropropan-2-yl)-3-(3-methylphenoxy)propanamide
CID 114299616
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-3-(3-methylphenoxy)propanehydrazide?
The IUPAC name of N'-acetyl-3-(3-methylphenoxy)propanehydrazide (CID 30905648) is N'-acetyl-3-(3-methylphenoxy)propanehydrazide.
What is the SMILES notation for N'-acetyl-3-(3-methylphenoxy)propanehydrazide?
The canonical SMILES for N'-acetyl-3-(3-methylphenoxy)propanehydrazide is CC(=O)NNC(=O)CCOc1cccc(C)c1.
What is the InChIKey of N'-acetyl-3-(3-methylphenoxy)propanehydrazide?
The InChIKey is ABRBDKAORYFTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9-4-3-5-11(8-9)17-7-6-12(16)14-13-10(2)15/h3-5,8H,6-7H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N'-acetyl-3-(3-methylphenoxy)propanehydrazide?
N'-acetyl-3-(3-methylphenoxy)propanehydrazide has a molecular weight of 236.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-3-(3-methylphenoxy)propanehydrazide is sourced from PubChem (CID 30905648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).