4-methyl-N'-(2-phenoxypropanoyl)benzohydrazide

C17H18N2O3 — CID 3631499

IUPAC4-methyl-N'-(2-phenoxypropanoyl)benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C(C)Oc2ccccc2)cc1
InChIInChI=1S/C17H18N2O3/c1-12-8-10-14(11-9-12)17(21)19-18-16(20)13(2)22-15-6-4-3-5-7-15/h3-11,13H,1-2H3,(H,18,20)(H,19,21)
InChIKeyRNHGRSWCHXCLBZ-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.22
Rot. Bonds4

About 4-methyl-N'-(2-phenoxypropanoyl)benzohydrazide

4-methyl-N'-(2-phenoxypropanoyl)benzohydrazide (PubChem CID 3631499) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-methyl-N'-(2-phenoxypropanoyl)benzohydrazide.

Molecular Properties

Compound Name4-methyl-N'-(2-phenoxypropanoyl)benzohydrazide
PubChem CID3631499
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name4-methyl-N'-(2-phenoxypropanoyl)benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C(C)Oc2ccccc2)cc1
InChIInChI=1S/C17H18N2O3/c1-12-8-10-14(11-9-12)17(21)19-18-16(20)13(2)22-15-6-4-3-5-7-15/h3-11,13H,1-2H3,(H,18,20)(H,19,21)
InChIKeyRNHGRSWCHXCLBZ-UHFFFAOYSA-N
XLogP2.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.22
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-(4-phenylphenoxy)propanoyl]benzohydrazide
CID 4951976
4-methyl-N'-[2-(4-propan-2-ylphenoxy)propanoyl]benzohydrazide
CID 4953821
N'-acetyl-2-phenoxypropanehydrazide
CID 43011734
N'-[2-(4-nitrophenoxy)propanoyl]-4-phenylbenzohydrazide
CID 4951357
3-methyl-N-[4-[[2-(4-phenylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide
CID 4952004
(2R)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757605
(2S)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757604
N-[4-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide
CID 4928641
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
N'-[(2R)-2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 8864494
N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 4951406
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 17169390

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(2-phenoxypropanoyl)benzohydrazide?
The IUPAC name of 4-methyl-N'-(2-phenoxypropanoyl)benzohydrazide (CID 3631499) is 4-methyl-N'-(2-phenoxypropanoyl)benzohydrazide.
What is the SMILES notation for 4-methyl-N'-(2-phenoxypropanoyl)benzohydrazide?
The canonical SMILES for 4-methyl-N'-(2-phenoxypropanoyl)benzohydrazide is Cc1ccc(C(=O)NNC(=O)C(C)Oc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N'-(2-phenoxypropanoyl)benzohydrazide?
The InChIKey is RNHGRSWCHXCLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-8-10-14(11-9-12)17(21)19-18-16(20)13(2)22-15-6-4-3-5-7-15/h3-11,13H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 4-methyl-N'-(2-phenoxypropanoyl)benzohydrazide?
4-methyl-N'-(2-phenoxypropanoyl)benzohydrazide has a molecular weight of 298.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(2-phenoxypropanoyl)benzohydrazide is sourced from PubChem (CID 3631499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).