N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-trimethoxy-2-nitrobenzohydrazide

C22H27N3O9 — CID 24514989

IUPACN'-(4-butoxy-3-methoxybenzoyl)-3,4,5-trimethoxy-2-nitrobenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2[N+](=O)[O-])cc1OC
InChIInChI=1S/C22H27N3O9/c1-6-7-10-34-15-9-8-13(11-16(15)30-2)21(26)23-24-22(27)14-12-17(31-3)19(32-4)20(33-5)18(14)25(28)29/h8-9,11-12H,6-7,10H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyMHSHPBKJYMFZJZ-UHFFFAOYSA-N
MW477.47 g/mol
LogP2.88
Rot. Bonds11

About N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-trimethoxy-2-nitrobenzohydrazide

N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-trimethoxy-2-nitrobenzohydrazide (PubChem CID 24514989) has the molecular formula C22H27N3O9 and a molecular weight of 477.47 g/mol. Its IUPAC name is N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-trimethoxy-2-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(4-butoxy-3-methoxybenzoyl)-3,4,5-trimethoxy-2-nitrobenzohydrazide
PubChem CID24514989
Molecular FormulaC22H27N3O9
Molecular Weight477.47 g/mol
Exact Mass477.17
IUPAC NameN'-(4-butoxy-3-methoxybenzoyl)-3,4,5-trimethoxy-2-nitrobenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2[N+](=O)[O-])cc1OC
InChIInChI=1S/C22H27N3O9/c1-6-7-10-34-15-9-8-13(11-16(15)30-2)21(26)23-24-22(27)14-12-17(31-3)19(32-4)20(33-5)18(14)25(28)29/h8-9,11-12H,6-7,10H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyMHSHPBKJYMFZJZ-UHFFFAOYSA-N
XLogP2.88
TPSA147.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.47
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide
CID 9440197
N'-(3,4,5-trimethoxy-2-nitrobenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 55454886
3,4,5-trimethoxy-2-nitro-N-nonylbenzamide
CID 46549879
N'-(4-butoxy-3-methoxybenzoyl)-2-hydroxy-4-methylbenzohydrazide
CID 31715670
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
CID 25442347
N'-(2-chloro-5-nitrobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440166
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 26784336
4-butoxy-3-methoxy-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]benzohydrazide
CID 30317919
4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2213710

Frequently Asked Questions

What is the IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-trimethoxy-2-nitrobenzohydrazide?
The IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-trimethoxy-2-nitrobenzohydrazide (CID 24514989) is N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-trimethoxy-2-nitrobenzohydrazide.
What is the SMILES notation for N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-trimethoxy-2-nitrobenzohydrazide?
The canonical SMILES for N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-trimethoxy-2-nitrobenzohydrazide is CCCCOc1ccc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2[N+](=O)[O-])cc1OC.
What is the InChIKey of N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-trimethoxy-2-nitrobenzohydrazide?
The InChIKey is MHSHPBKJYMFZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O9/c1-6-7-10-34-15-9-8-13(11-16(15)30-2)21(26)23-24-22(27)14-12-17(31-3)19(32-4)20(33-5)18(14)25(28)29/h8-9,11-12H,6-7,10H2,1-5H3,(H,23,26)(H,24,27).
What are the key properties of N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-trimethoxy-2-nitrobenzohydrazide?
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-trimethoxy-2-nitrobenzohydrazide has a molecular weight of 477.47 g/mol, XLogP of 2.88, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-trimethoxy-2-nitrobenzohydrazide is sourced from PubChem (CID 24514989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).