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

C24H24N4O6 — CID 46551142

IUPAC4-anilino-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)ccc1OC(C)C
InChIInChI=1S/C24H24N4O6/c1-15(2)34-21-12-10-17(14-22(21)33-3)24(30)27-26-23(29)16-9-11-19(20(13-16)28(31)32)25-18-7-5-4-6-8-18/h4-15,25H,1-3H3,(H,26,29)(H,27,30)
InChIKeyXOHTVKWKUHAVGK-UHFFFAOYSA-N
MW464.48 g/mol
LogP4.21
Rot. Bonds8

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

4-anilino-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide (PubChem CID 46551142) has the molecular formula C24H24N4O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is 4-anilino-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide.

Molecular Properties

Compound Name4-anilino-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide
PubChem CID46551142
Molecular FormulaC24H24N4O6
Molecular Weight464.48 g/mol
Exact Mass464.17
IUPAC Name4-anilino-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)ccc1OC(C)C
InChIInChI=1S/C24H24N4O6/c1-15(2)34-21-12-10-17(14-22(21)33-3)24(30)27-26-23(29)16-9-11-19(20(13-16)28(31)32)25-18-7-5-4-6-8-18/h4-15,25H,1-3H3,(H,26,29)(H,27,30)
InChIKeyXOHTVKWKUHAVGK-UHFFFAOYSA-N
XLogP4.21
TPSA131.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 54.21
H-Bond Donors ≤ 53
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

4-anilino-N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 27537881
4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide
CID 9392138
3-methoxy-N'-[2-(2-nitrophenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 7972085
N'-benzoyl-4-methoxy-3-nitrobenzohydrazide
CID 4570893
4-anilino-N-methyl-3-nitrobenzamide
CID 47122651
4-anilino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-nitrobenzamide
CID 37260133
4-anilino-N-(5-chloro-2,4-dimethoxyphenyl)-3-nitrobenzamide
CID 24570934
N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 7972036
N'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 31724891
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
4-anilino-3-nitrobenzoic acid
CID 3824366
4,5-dimethoxy-2-nitro-N-phenylaniline
CID 22004113

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide?
The IUPAC name of 4-anilino-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide (CID 46551142) is 4-anilino-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide.
What is the SMILES notation for 4-anilino-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide?
The canonical SMILES for 4-anilino-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide is COc1cc(C(=O)NNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)ccc1OC(C)C.
What is the InChIKey of 4-anilino-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide?
The InChIKey is XOHTVKWKUHAVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O6/c1-15(2)34-21-12-10-17(14-22(21)33-3)24(30)27-26-23(29)16-9-11-19(20(13-16)28(31)32)25-18-7-5-4-6-8-18/h4-15,25H,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 4-anilino-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide?
4-anilino-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide has a molecular weight of 464.48 g/mol, XLogP of 4.21, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide is sourced from PubChem (CID 46551142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).