4-tert-butyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide

C20H23N3O5 — CID 4944277

IUPAC4-tert-butyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H23N3O5/c1-13(28-17-8-6-5-7-16(17)23(26)27)18(24)21-22-19(25)14-9-11-15(12-10-14)20(2,3)4/h5-13H,1-4H3,(H,21,24)(H,22,25)
InChIKeyDUYULWUJEHJRAF-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.12
Rot. Bonds5

About 4-tert-butyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide

4-tert-butyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide (PubChem CID 4944277) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-tert-butyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-tert-butyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
PubChem CID4944277
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name4-tert-butyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H23N3O5/c1-13(28-17-8-6-5-7-16(17)23(26)27)18(24)21-22-19(25)14-9-11-15(12-10-14)20(2,3)4/h5-13H,1-4H3,(H,21,24)(H,22,25)
InChIKeyDUYULWUJEHJRAF-UHFFFAOYSA-N
XLogP3.12
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.12
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

4-(2-methylpropoxy)-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 9206169
2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 4944143
N'-[2-(2-nitrophenoxy)propanoyl]-4-phenylmethoxybenzohydrazide
CID 4944324
3-bromo-4-methyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 4944269
3-methyl-N-[4-[[2-(2-nitrophenoxy)propanoylamino]carbamoyl]phenyl]benzamide
CID 4944222
N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide
CID 4931669
2,4-dichloro-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 9206008
N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide
CID 17235413
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methoxy-3-nitrobenzohydrazide
CID 7927420
N'-[2-(2-chlorophenoxy)propanoyl]-2-nitrobenzohydrazide
CID 4932160
(2R)-N'-[2-(2-methoxyphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 9206073
N'-[2-(2-fluorophenoxy)propanoyl]-2-nitrobenzohydrazide
CID 43003717

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide?
The IUPAC name of 4-tert-butyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide (CID 4944277) is 4-tert-butyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 4-tert-butyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 4-tert-butyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide is CC(Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide?
The InChIKey is DUYULWUJEHJRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-13(28-17-8-6-5-7-16(17)23(26)27)18(24)21-22-19(25)14-9-11-15(12-10-14)20(2,3)4/h5-13H,1-4H3,(H,21,24)(H,22,25).
What are the key properties of 4-tert-butyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide?
4-tert-butyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide has a molecular weight of 385.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 4944277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).