4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide

C20H23N3O7 — CID 9392138

IUPAC4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H23N3O7/c1-5-29-16-8-6-13(10-15(16)23(26)27)19(24)21-22-20(25)14-7-9-17(30-12(2)3)18(11-14)28-4/h6-12H,5H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyXXRIBQRLWAERDC-UHFFFAOYSA-N
MW417.42 g/mol
LogP2.86
Rot. Bonds8

About 4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide

4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide (PubChem CID 9392138) has the molecular formula C20H23N3O7 and a molecular weight of 417.42 g/mol. Its IUPAC name is 4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide.

Molecular Properties

Compound Name4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide
PubChem CID9392138
Molecular FormulaC20H23N3O7
Molecular Weight417.42 g/mol
Exact Mass417.15
IUPAC Name4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H23N3O7/c1-5-29-16-8-6-13(10-15(16)23(26)27)19(24)21-22-20(25)14-7-9-17(30-12(2)3)18(11-14)28-4/h6-12H,5H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyXXRIBQRLWAERDC-UHFFFAOYSA-N
XLogP2.86
TPSA129.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'-benzoyl-4-ethoxy-3-nitrobenzohydrazide
CID 9391903
3-methoxy-N'-[2-(2-nitrophenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 7972085
4-anilino-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide
CID 46551142
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide
CID 25441159
4-ethoxy-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide
CID 9393219
4-ethoxy-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-nitrobenzamide
CID 9264106
N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 1265698
N'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 31724891
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-3-nitrobenzamide
CID 9392573
4-ethoxy-3-nitro-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide
CID 9393143
N'-benzoyl-4-methoxy-3-nitrobenzohydrazide
CID 4570893

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide?
The IUPAC name of 4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide (CID 9392138) is 4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide.
What is the SMILES notation for 4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide?
The canonical SMILES for 4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide is CCOc1ccc(C(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)cc1[N+](=O)[O-].
What is the InChIKey of 4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide?
The InChIKey is XXRIBQRLWAERDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O7/c1-5-29-16-8-6-13(10-15(16)23(26)27)19(24)21-22-20(25)14-7-9-17(30-12(2)3)18(11-14)28-4/h6-12H,5H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of 4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide?
4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide has a molecular weight of 417.42 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide is sourced from PubChem (CID 9392138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).