3-ethoxy-N'-(4-nitrobenzoyl)-4-propoxybenzohydrazide

C19H21N3O6 — CID 9314736

IUPAC3-ethoxy-N'-(4-nitrobenzoyl)-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC
InChIInChI=1S/C19H21N3O6/c1-3-11-28-16-10-7-14(12-17(16)27-4-2)19(24)21-20-18(23)13-5-8-15(9-6-13)22(25)26/h5-10,12H,3-4,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyKMPYMXAJAVIPJC-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.86
Rot. Bonds8

About 3-ethoxy-N'-(4-nitrobenzoyl)-4-propoxybenzohydrazide

3-ethoxy-N'-(4-nitrobenzoyl)-4-propoxybenzohydrazide (PubChem CID 9314736) has the molecular formula C19H21N3O6 and a molecular weight of 387.39 g/mol. Its IUPAC name is 3-ethoxy-N'-(4-nitrobenzoyl)-4-propoxybenzohydrazide.

Molecular Properties

Compound Name3-ethoxy-N'-(4-nitrobenzoyl)-4-propoxybenzohydrazide
PubChem CID9314736
Molecular FormulaC19H21N3O6
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name3-ethoxy-N'-(4-nitrobenzoyl)-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC
InChIInChI=1S/C19H21N3O6/c1-3-11-28-16-10-7-14(12-17(16)27-4-2)19(24)21-20-18(23)13-5-8-15(9-6-13)22(25)26/h5-10,12H,3-4,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyKMPYMXAJAVIPJC-UHFFFAOYSA-N
XLogP2.86
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide
CID 3276495
3,4-diethoxy-N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126225259
N'-benzoyl-3,4-dipropoxybenzohydrazide
CID 8574890
N'-(2-chloro-5-nitrobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440166
[2-(4-nitroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 7556829
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide
CID 55358632
N'-(2-chloro-5-nitrobenzoyl)-4-ethoxy-3-methoxybenzohydrazide
CID 9439884
N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506641
N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide
CID 9391903
N'-(3-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide
CID 9476415
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
3-ethoxy-N',N'-dimethyl-4-propoxybenzohydrazide
CID 9164038

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N'-(4-nitrobenzoyl)-4-propoxybenzohydrazide?
The IUPAC name of 3-ethoxy-N'-(4-nitrobenzoyl)-4-propoxybenzohydrazide (CID 9314736) is 3-ethoxy-N'-(4-nitrobenzoyl)-4-propoxybenzohydrazide.
What is the SMILES notation for 3-ethoxy-N'-(4-nitrobenzoyl)-4-propoxybenzohydrazide?
The canonical SMILES for 3-ethoxy-N'-(4-nitrobenzoyl)-4-propoxybenzohydrazide is CCCOc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC.
What is the InChIKey of 3-ethoxy-N'-(4-nitrobenzoyl)-4-propoxybenzohydrazide?
The InChIKey is KMPYMXAJAVIPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6/c1-3-11-28-16-10-7-14(12-17(16)27-4-2)19(24)21-20-18(23)13-5-8-15(9-6-13)22(25)26/h5-10,12H,3-4,11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 3-ethoxy-N'-(4-nitrobenzoyl)-4-propoxybenzohydrazide?
3-ethoxy-N'-(4-nitrobenzoyl)-4-propoxybenzohydrazide has a molecular weight of 387.39 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N'-(4-nitrobenzoyl)-4-propoxybenzohydrazide is sourced from PubChem (CID 9314736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).