N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide

C12H15N3O5 — CID 17357857

IUPACN'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide
SMILESCCOCCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H15N3O5/c1-2-20-7-6-11(16)13-14-12(17)9-4-3-5-10(8-9)15(18)19/h3-5,8H,2,6-7H2,1H3,(H,13,16)(H,14,17)
InChIKeyKWYLZVCHQJVSHF-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.78
Rot. Bonds6

About N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide

N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide (PubChem CID 17357857) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide
PubChem CID17357857
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC NameN'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide
SMILESCCOCCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H15N3O5/c1-2-20-7-6-11(16)13-14-12(17)9-4-3-5-10(8-9)15(18)19/h3-5,8H,2,6-7H2,1H3,(H,13,16)(H,14,17)
InChIKeyKWYLZVCHQJVSHF-UHFFFAOYSA-N
XLogP0.78
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-nitro-N'-tetradecanoylbenzohydrazide
CID 54791907
N'-[3-(4-methylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 9333305
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
3-(2-ethoxyethoxy)-N'-(3-ethoxypropanoyl)benzohydrazide
CID 17139800
N'-(3-methylbutanoyl)-3-nitrobenzohydrazide
CID 9333812
N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide
CID 26533874
N'-(3-ethoxypropanoyl)-3-propoxybenzohydrazide
CID 17357962
[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea
CID 18168702
N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
CID 7434007
N'-[3-(3-bromophenyl)propanoyl]-3-nitrobenzohydrazide
CID 78774211
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
N-[4-[[(3-nitrobenzoyl)amino]carbamoyl]phenyl]pentanamide
CID 4926283

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide?
The IUPAC name of N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide (CID 17357857) is N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide.
What is the SMILES notation for N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide?
The canonical SMILES for N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide is CCOCCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide?
The InChIKey is KWYLZVCHQJVSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-2-20-7-6-11(16)13-14-12(17)9-4-3-5-10(8-9)15(18)19/h3-5,8H,2,6-7H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide?
N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide has a molecular weight of 281.27 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide is sourced from PubChem (CID 17357857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).