N'-(4-ethoxybenzoyl)-4-methyl-3-nitrobenzohydrazide

C17H17N3O5 — CID 26187335

IUPACN'-(4-ethoxybenzoyl)-4-methyl-3-nitrobenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H17N3O5/c1-3-25-14-8-6-12(7-9-14)16(21)18-19-17(22)13-5-4-11(2)15(10-13)20(23)24/h4-10H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyFMKGLYSVJGMUQC-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.38
Rot. Bonds5

About N'-(4-ethoxybenzoyl)-4-methyl-3-nitrobenzohydrazide

N'-(4-ethoxybenzoyl)-4-methyl-3-nitrobenzohydrazide (PubChem CID 26187335) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N'-(4-ethoxybenzoyl)-4-methyl-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxybenzoyl)-4-methyl-3-nitrobenzohydrazide
PubChem CID26187335
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN'-(4-ethoxybenzoyl)-4-methyl-3-nitrobenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H17N3O5/c1-3-25-14-8-6-12(7-9-14)16(21)18-19-17(22)13-5-4-11(2)15(10-13)20(23)24/h4-10H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyFMKGLYSVJGMUQC-UHFFFAOYSA-N
XLogP2.38
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.38
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

N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-4-methyl-3-nitrobenzamide
CID 26774419
N-[(4-ethoxyphenyl)carbamothioyl]-4-methyl-3-nitrobenzamide
CID 1336942
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 6009398
N'-(4-ethoxybenzoyl)-5-methyl-4-nitrothiophene-2-carbohydrazide
CID 46586432
4-(cyclopropylamino)-N'-(4-ethoxybenzoyl)-3-nitrobenzohydrazide
CID 9160811
4-chloro-N'-[2-(4-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide
CID 19168126
N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide
CID 4948668
N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide
CID 9391903
4-ethoxy-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide
CID 7979562
2-[4-[(4-methyl-3-nitrobenzoyl)amino]phenoxy]acetic acid
CID 17172350
N-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide
CID 3375045
4-methyl-N'-(3-methylbutanoyl)-3-nitrobenzohydrazide
CID 46653048

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxybenzoyl)-4-methyl-3-nitrobenzohydrazide?
The IUPAC name of N'-(4-ethoxybenzoyl)-4-methyl-3-nitrobenzohydrazide (CID 26187335) is N'-(4-ethoxybenzoyl)-4-methyl-3-nitrobenzohydrazide.
What is the SMILES notation for N'-(4-ethoxybenzoyl)-4-methyl-3-nitrobenzohydrazide?
The canonical SMILES for N'-(4-ethoxybenzoyl)-4-methyl-3-nitrobenzohydrazide is CCOc1ccc(C(=O)NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N'-(4-ethoxybenzoyl)-4-methyl-3-nitrobenzohydrazide?
The InChIKey is FMKGLYSVJGMUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-3-25-14-8-6-12(7-9-14)16(21)18-19-17(22)13-5-4-11(2)15(10-13)20(23)24/h4-10H,3H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(4-ethoxybenzoyl)-4-methyl-3-nitrobenzohydrazide?
N'-(4-ethoxybenzoyl)-4-methyl-3-nitrobenzohydrazide has a molecular weight of 343.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxybenzoyl)-4-methyl-3-nitrobenzohydrazide is sourced from PubChem (CID 26187335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).