4-(2-methoxyethylamino)-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-nitrobenzohydrazide

C23H30N4O7 — CID 24515194

IUPAC4-(2-methoxyethylamino)-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-nitrobenzohydrazide
SMILESCOCCNc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)c(OC)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C23H30N4O7/c1-15(2)9-11-34-20-8-6-17(14-21(20)33-4)23(29)26-25-22(28)16-5-7-18(24-10-12-32-3)19(13-16)27(30)31/h5-8,13-15,24H,9-12H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyLULNBNUJVAIMFQ-UHFFFAOYSA-N
MW474.51 g/mol
LogP3.16
Rot. Bonds12

About 4-(2-methoxyethylamino)-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-nitrobenzohydrazide

4-(2-methoxyethylamino)-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-nitrobenzohydrazide (PubChem CID 24515194) has the molecular formula C23H30N4O7 and a molecular weight of 474.51 g/mol. Its IUPAC name is 4-(2-methoxyethylamino)-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-nitrobenzohydrazide.

Molecular Properties

Compound Name4-(2-methoxyethylamino)-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-nitrobenzohydrazide
PubChem CID24515194
Molecular FormulaC23H30N4O7
Molecular Weight474.51 g/mol
Exact Mass474.21
IUPAC Name4-(2-methoxyethylamino)-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-nitrobenzohydrazide
SMILESCOCCNc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)c(OC)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C23H30N4O7/c1-15(2)9-11-34-20-8-6-17(14-21(20)33-4)23(29)26-25-22(28)16-5-7-18(24-10-12-32-3)19(13-16)27(30)31/h5-8,13-15,24H,9-12H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyLULNBNUJVAIMFQ-UHFFFAOYSA-N
XLogP3.16
TPSA141.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

3-methoxy-N'-[2-(methylamino)-5-nitrobenzoyl]-4-(3-methylbutoxy)benzohydrazide
CID 24531838
3-methoxy-4-(3-methylbutoxy)-N'-(2-nitrophenyl)sulfonylbenzohydrazide
CID 26952120
N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 18169069
4-(2-methoxyethylamino)-3-nitrobenzamide
CID 4883684
1-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]-3-(3-nitrophenyl)urea
CID 46513793
N-methyl-4-(3-methylbutylamino)-3-nitrobenzamide
CID 47370288
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2,4-dinitroaniline
CID 54776512
3-methoxy-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360
N-[(2R)-2-(hydroxymethyl)-4-methylpentyl]-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 100629080
N-[2-(hydroxymethyl)-4-methylpentyl]-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 119037026
N-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 51254591
4-(2-methoxyethylamino)-3-nitro-N-prop-2-ynylbenzamide
CID 18110138

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylamino)-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-nitrobenzohydrazide?
The IUPAC name of 4-(2-methoxyethylamino)-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-nitrobenzohydrazide (CID 24515194) is 4-(2-methoxyethylamino)-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-nitrobenzohydrazide.
What is the SMILES notation for 4-(2-methoxyethylamino)-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-nitrobenzohydrazide?
The canonical SMILES for 4-(2-methoxyethylamino)-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-nitrobenzohydrazide is COCCNc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)c(OC)c2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(2-methoxyethylamino)-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-nitrobenzohydrazide?
The InChIKey is LULNBNUJVAIMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O7/c1-15(2)9-11-34-20-8-6-17(14-21(20)33-4)23(29)26-25-22(28)16-5-7-18(24-10-12-32-3)19(13-16)27(30)31/h5-8,13-15,24H,9-12H2,1-4H3,(H,25,28)(H,26,29).
What are the key properties of 4-(2-methoxyethylamino)-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-nitrobenzohydrazide?
4-(2-methoxyethylamino)-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-nitrobenzohydrazide has a molecular weight of 474.51 g/mol, XLogP of 3.16, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylamino)-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-nitrobenzohydrazide is sourced from PubChem (CID 24515194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).