N'-(3-methylphenyl)-4-propylbenzohydrazide

C17H20N2O — CID 2812378

IUPACN'-(3-methylphenyl)-4-propylbenzohydrazide
SMILESCCCc1ccc(C(=O)NNc2cccc(C)c2)cc1
InChIInChI=1S/C17H20N2O/c1-3-5-14-8-10-15(11-9-14)17(20)19-18-16-7-4-6-13(2)12-16/h4,6-12,18H,3,5H2,1-2H3,(H,19,20)
InChIKeyPIJMMHWDTFTHNS-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.70
Rot. Bonds5

About N'-(3-methylphenyl)-4-propylbenzohydrazide

N'-(3-methylphenyl)-4-propylbenzohydrazide (PubChem CID 2812378) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N'-(3-methylphenyl)-4-propylbenzohydrazide.

Molecular Properties

Compound NameN'-(3-methylphenyl)-4-propylbenzohydrazide
PubChem CID2812378
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN'-(3-methylphenyl)-4-propylbenzohydrazide
SMILESCCCc1ccc(C(=O)NNc2cccc(C)c2)cc1
InChIInChI=1S/C17H20N2O/c1-3-5-14-8-10-15(11-9-14)17(20)19-18-16-7-4-6-13(2)12-16/h4,6-12,18H,3,5H2,1-2H3,(H,19,20)
InChIKeyPIJMMHWDTFTHNS-UHFFFAOYSA-N
XLogP3.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-methylphenyl)-4-propylbenzohydrazide?
The IUPAC name of N'-(3-methylphenyl)-4-propylbenzohydrazide (CID 2812378) is N'-(3-methylphenyl)-4-propylbenzohydrazide.
What is the SMILES notation for N'-(3-methylphenyl)-4-propylbenzohydrazide?
The canonical SMILES for N'-(3-methylphenyl)-4-propylbenzohydrazide is CCCc1ccc(C(=O)NNc2cccc(C)c2)cc1.
What is the InChIKey of N'-(3-methylphenyl)-4-propylbenzohydrazide?
The InChIKey is PIJMMHWDTFTHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-5-14-8-10-15(11-9-14)17(20)19-18-16-7-4-6-13(2)12-16/h4,6-12,18H,3,5H2,1-2H3,(H,19,20).
What are the key properties of N'-(3-methylphenyl)-4-propylbenzohydrazide?
N'-(3-methylphenyl)-4-propylbenzohydrazide has a molecular weight of 268.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylphenyl)-4-propylbenzohydrazide is sourced from PubChem (CID 2812378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).