4-methyl-N'-[2-(4-propan-2-ylphenoxy)propanoyl]benzohydrazide

C20H24N2O3 — CID 4953821

IUPAC4-methyl-N'-[2-(4-propan-2-ylphenoxy)propanoyl]benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-13(2)16-9-11-18(12-10-16)25-15(4)19(23)21-22-20(24)17-7-5-14(3)6-8-17/h5-13,15H,1-4H3,(H,21,23)(H,22,24)
InChIKeyHNXCCJDEJUQIAJ-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.35
Rot. Bonds5

About 4-methyl-N'-[2-(4-propan-2-ylphenoxy)propanoyl]benzohydrazide

4-methyl-N'-[2-(4-propan-2-ylphenoxy)propanoyl]benzohydrazide (PubChem CID 4953821) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-methyl-N'-[2-(4-propan-2-ylphenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-methyl-N'-[2-(4-propan-2-ylphenoxy)propanoyl]benzohydrazide
PubChem CID4953821
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-methyl-N'-[2-(4-propan-2-ylphenoxy)propanoyl]benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-13(2)16-9-11-18(12-10-16)25-15(4)19(23)21-22-20(24)17-7-5-14(3)6-8-17/h5-13,15H,1-4H3,(H,21,23)(H,22,24)
InChIKeyHNXCCJDEJUQIAJ-UHFFFAOYSA-N
XLogP3.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.35
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

4-methyl-N'-(2-phenoxypropanoyl)benzohydrazide
CID 3631499
4-methyl-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide
CID 4951976
N-[4-[[[(2R)-2-(4-propan-2-ylphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 9241022
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 17169425
N-[4-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide
CID 4928641
N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide
CID 17046478
4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 24638274
N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 684854
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 7965233
(2S)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757604
(2R)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757605
N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide
CID 17177533

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[2-(4-propan-2-ylphenoxy)propanoyl]benzohydrazide?
The IUPAC name of 4-methyl-N'-[2-(4-propan-2-ylphenoxy)propanoyl]benzohydrazide (CID 4953821) is 4-methyl-N'-[2-(4-propan-2-ylphenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 4-methyl-N'-[2-(4-propan-2-ylphenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 4-methyl-N'-[2-(4-propan-2-ylphenoxy)propanoyl]benzohydrazide is Cc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 4-methyl-N'-[2-(4-propan-2-ylphenoxy)propanoyl]benzohydrazide?
The InChIKey is HNXCCJDEJUQIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13(2)16-9-11-18(12-10-16)25-15(4)19(23)21-22-20(24)17-7-5-14(3)6-8-17/h5-13,15H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 4-methyl-N'-[2-(4-propan-2-ylphenoxy)propanoyl]benzohydrazide?
4-methyl-N'-[2-(4-propan-2-ylphenoxy)propanoyl]benzohydrazide has a molecular weight of 340.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[2-(4-propan-2-ylphenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 4953821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).