3-methyl-N'-[2-(2-methylphenoxy)propanoyl]benzohydrazide

C18H20N2O3 — CID 4010185

IUPAC3-methyl-N'-[2-(2-methylphenoxy)propanoyl]benzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)C(C)Oc2ccccc2C)c1
InChIInChI=1S/C18H20N2O3/c1-12-7-6-9-15(11-12)18(22)20-19-17(21)14(3)23-16-10-5-4-8-13(16)2/h4-11,14H,1-3H3,(H,19,21)(H,20,22)
InChIKeyLJSXXXPBISQFSN-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.53
Rot. Bonds4

About 3-methyl-N'-[2-(2-methylphenoxy)propanoyl]benzohydrazide

3-methyl-N'-[2-(2-methylphenoxy)propanoyl]benzohydrazide (PubChem CID 4010185) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-methyl-N'-[2-(2-methylphenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name3-methyl-N'-[2-(2-methylphenoxy)propanoyl]benzohydrazide
PubChem CID4010185
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-methyl-N'-[2-(2-methylphenoxy)propanoyl]benzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)C(C)Oc2ccccc2C)c1
InChIInChI=1S/C18H20N2O3/c1-12-7-6-9-15(11-12)18(22)20-19-17(21)14(3)23-16-10-5-4-8-13(16)2/h4-11,14H,1-3H3,(H,19,21)(H,20,22)
InChIKeyLJSXXXPBISQFSN-UHFFFAOYSA-N
XLogP2.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.53
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-[4-[[2-(2-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide
CID 4931723
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide
CID 43004027
N'-[2-(2,5-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 4945052
3-methyl-N-[4-[[2-(2-nitrophenoxy)propanoylamino]carbamoyl]phenyl]benzamide
CID 4944222
N'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide
CID 9237504
N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide
CID 4931669
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 42887837
N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 24502964
(2S)-N'-[(2R)-2-(2-methylphenoxy)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8757616
N'-[2-(2-methylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4931633
3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 7927406
4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 8880270

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[2-(2-methylphenoxy)propanoyl]benzohydrazide?
The IUPAC name of 3-methyl-N'-[2-(2-methylphenoxy)propanoyl]benzohydrazide (CID 4010185) is 3-methyl-N'-[2-(2-methylphenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 3-methyl-N'-[2-(2-methylphenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 3-methyl-N'-[2-(2-methylphenoxy)propanoyl]benzohydrazide is Cc1cccc(C(=O)NNC(=O)C(C)Oc2ccccc2C)c1.
What is the InChIKey of 3-methyl-N'-[2-(2-methylphenoxy)propanoyl]benzohydrazide?
The InChIKey is LJSXXXPBISQFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-7-6-9-15(11-12)18(22)20-19-17(21)14(3)23-16-10-5-4-8-13(16)2/h4-11,14H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 3-methyl-N'-[2-(2-methylphenoxy)propanoyl]benzohydrazide?
3-methyl-N'-[2-(2-methylphenoxy)propanoyl]benzohydrazide has a molecular weight of 312.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[2-(2-methylphenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 4010185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).