N'-[3-(4-methylphenoxy)propanoyl]-3-nitrobenzohydrazide

C17H17N3O5 — CID 9333305

IUPACN'-[3-(4-methylphenoxy)propanoyl]-3-nitrobenzohydrazide
SMILESCc1ccc(OCCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H17N3O5/c1-12-5-7-15(8-6-12)25-10-9-16(21)18-19-17(22)13-3-2-4-14(11-13)20(23)24/h2-8,11H,9-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyXARFNKKOMQULIJ-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.13
Rot. Bonds6

About N'-[3-(4-methylphenoxy)propanoyl]-3-nitrobenzohydrazide

N'-[3-(4-methylphenoxy)propanoyl]-3-nitrobenzohydrazide (PubChem CID 9333305) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N'-[3-(4-methylphenoxy)propanoyl]-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[3-(4-methylphenoxy)propanoyl]-3-nitrobenzohydrazide
PubChem CID9333305
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN'-[3-(4-methylphenoxy)propanoyl]-3-nitrobenzohydrazide
SMILESCc1ccc(OCCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H17N3O5/c1-12-5-7-15(8-6-12)25-10-9-16(21)18-19-17(22)13-3-2-4-14(11-13)20(23)24/h2-8,11H,9-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyXARFNKKOMQULIJ-UHFFFAOYSA-N
XLogP2.13
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide
CID 17357857
N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide
CID 7969097
[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 16796691
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 932571
N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide
CID 26533874
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
N-[1-(4-methylphenoxy)propan-2-yl]-3-nitrobenzamide
CID 132650571
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-nitrobenzamide
CID 99994913
N'-[2-(4-methylphenoxy)butanoyl]-3-nitrobenzohydrazide
CID 4950238
[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 16958483
3-nitro-N'-tetradecanoylbenzohydrazide
CID 54791907

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-methylphenoxy)propanoyl]-3-nitrobenzohydrazide?
The IUPAC name of N'-[3-(4-methylphenoxy)propanoyl]-3-nitrobenzohydrazide (CID 9333305) is N'-[3-(4-methylphenoxy)propanoyl]-3-nitrobenzohydrazide.
What is the SMILES notation for N'-[3-(4-methylphenoxy)propanoyl]-3-nitrobenzohydrazide?
The canonical SMILES for N'-[3-(4-methylphenoxy)propanoyl]-3-nitrobenzohydrazide is Cc1ccc(OCCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N'-[3-(4-methylphenoxy)propanoyl]-3-nitrobenzohydrazide?
The InChIKey is XARFNKKOMQULIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-12-5-7-15(8-6-12)25-10-9-16(21)18-19-17(22)13-3-2-4-14(11-13)20(23)24/h2-8,11H,9-10H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-[3-(4-methylphenoxy)propanoyl]-3-nitrobenzohydrazide?
N'-[3-(4-methylphenoxy)propanoyl]-3-nitrobenzohydrazide has a molecular weight of 343.34 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-methylphenoxy)propanoyl]-3-nitrobenzohydrazide is sourced from PubChem (CID 9333305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).