N'-(2-morpholin-4-ylacetyl)-4-nitrobenzohydrazide

C13H16N4O5 — CID 3793088

IUPACN'-(2-morpholin-4-ylacetyl)-4-nitrobenzohydrazide
SMILESO=C(CN1CCOCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H16N4O5/c18-12(9-16-5-7-22-8-6-16)14-15-13(19)10-1-3-11(4-2-10)17(20)21/h1-4H,5-9H2,(H,14,18)(H,15,19)
InChIKeyKRQRROHYHJEUKM-UHFFFAOYSA-N
MW308.29 g/mol
LogP-0.31
Rot. Bonds4

About N'-(2-morpholin-4-ylacetyl)-4-nitrobenzohydrazide

N'-(2-morpholin-4-ylacetyl)-4-nitrobenzohydrazide (PubChem CID 3793088) has the molecular formula C13H16N4O5 and a molecular weight of 308.29 g/mol. Its IUPAC name is N'-(2-morpholin-4-ylacetyl)-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(2-morpholin-4-ylacetyl)-4-nitrobenzohydrazide
PubChem CID3793088
Molecular FormulaC13H16N4O5
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC NameN'-(2-morpholin-4-ylacetyl)-4-nitrobenzohydrazide
SMILESO=C(CN1CCOCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H16N4O5/c18-12(9-16-5-7-22-8-6-16)14-15-13(19)10-1-3-11(4-2-10)17(20)21/h1-4H,5-9H2,(H,14,18)(H,15,19)
InChIKeyKRQRROHYHJEUKM-UHFFFAOYSA-N
XLogP-0.31
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 5-0.31
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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Frequently Asked Questions

What is the IUPAC name of N'-(2-morpholin-4-ylacetyl)-4-nitrobenzohydrazide?
The IUPAC name of N'-(2-morpholin-4-ylacetyl)-4-nitrobenzohydrazide (CID 3793088) is N'-(2-morpholin-4-ylacetyl)-4-nitrobenzohydrazide.
What is the SMILES notation for N'-(2-morpholin-4-ylacetyl)-4-nitrobenzohydrazide?
The canonical SMILES for N'-(2-morpholin-4-ylacetyl)-4-nitrobenzohydrazide is O=C(CN1CCOCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-(2-morpholin-4-ylacetyl)-4-nitrobenzohydrazide?
The InChIKey is KRQRROHYHJEUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O5/c18-12(9-16-5-7-22-8-6-16)14-15-13(19)10-1-3-11(4-2-10)17(20)21/h1-4H,5-9H2,(H,14,18)(H,15,19).
What are the key properties of N'-(2-morpholin-4-ylacetyl)-4-nitrobenzohydrazide?
N'-(2-morpholin-4-ylacetyl)-4-nitrobenzohydrazide has a molecular weight of 308.29 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-morpholin-4-ylacetyl)-4-nitrobenzohydrazide is sourced from PubChem (CID 3793088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).