2-hexoxy-N'-(3-nitrobenzoyl)benzohydrazide

C20H23N3O5 — CID 4942335

IUPAC2-hexoxy-N'-(3-nitrobenzoyl)benzohydrazide
SMILESCCCCCCOc1ccccc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H23N3O5/c1-2-3-4-7-13-28-18-12-6-5-11-17(18)20(25)22-21-19(24)15-9-8-10-16(14-15)23(26)27/h5-6,8-12,14H,2-4,7,13H2,1H3,(H,21,24)(H,22,25)
InChIKeyNWUFBVQKAATQPW-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.63
Rot. Bonds9

About 2-hexoxy-N'-(3-nitrobenzoyl)benzohydrazide

2-hexoxy-N'-(3-nitrobenzoyl)benzohydrazide (PubChem CID 4942335) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-hexoxy-N'-(3-nitrobenzoyl)benzohydrazide.

Molecular Properties

Compound Name2-hexoxy-N'-(3-nitrobenzoyl)benzohydrazide
PubChem CID4942335
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name2-hexoxy-N'-(3-nitrobenzoyl)benzohydrazide
SMILESCCCCCCOc1ccccc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H23N3O5/c1-2-3-4-7-13-28-18-12-6-5-11-17(18)20(25)22-21-19(24)15-9-8-10-16(14-15)23(26)27/h5-6,8-12,14H,2-4,7,13H2,1H3,(H,21,24)(H,22,25)
InChIKeyNWUFBVQKAATQPW-UHFFFAOYSA-N
XLogP3.63
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[[(3-nitrobenzoyl)amino]carbamothioyl]benzamide
CID 4927104
2-hexoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide
CID 4942432
3-nitro-N'-tetradecanoylbenzohydrazide
CID 54791907
5-bromo-2-butoxy-N-[[(3-nitrobenzoyl)amino]carbamothioyl]benzamide
CID 17350607
3-nitro-N-(4-pentoxyphenyl)benzamide
CID 2281129
[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 16958483
N-[[(2-nitrobenzoyl)amino]carbamothioyl]-2-pentoxybenzamide
CID 4947300
2-bromo-N'-(3-nitrobenzoyl)benzohydrazide
CID 3817940
N-[[(4-butoxybenzoyl)amino]carbamothioyl]-3-nitrobenzamide
CID 3138354
N-[(2-chloro-4-nitrophenyl)carbamothioyl]-2-hexoxybenzamide
CID 4942754
2-hexoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17233105
N-hydroxy-2-tetradecoxybenzamide
CID 18962633

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-N'-(3-nitrobenzoyl)benzohydrazide?
The IUPAC name of 2-hexoxy-N'-(3-nitrobenzoyl)benzohydrazide (CID 4942335) is 2-hexoxy-N'-(3-nitrobenzoyl)benzohydrazide.
What is the SMILES notation for 2-hexoxy-N'-(3-nitrobenzoyl)benzohydrazide?
The canonical SMILES for 2-hexoxy-N'-(3-nitrobenzoyl)benzohydrazide is CCCCCCOc1ccccc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-hexoxy-N'-(3-nitrobenzoyl)benzohydrazide?
The InChIKey is NWUFBVQKAATQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-2-3-4-7-13-28-18-12-6-5-11-17(18)20(25)22-21-19(24)15-9-8-10-16(14-15)23(26)27/h5-6,8-12,14H,2-4,7,13H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 2-hexoxy-N'-(3-nitrobenzoyl)benzohydrazide?
2-hexoxy-N'-(3-nitrobenzoyl)benzohydrazide has a molecular weight of 385.42 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-N'-(3-nitrobenzoyl)benzohydrazide is sourced from PubChem (CID 4942335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).