N'-(3-morpholin-4-ylpropanoyl)-2,4-dinitrobenzohydrazide

C14H17N5O7 — CID 4227060

IUPACN'-(3-morpholin-4-ylpropanoyl)-2,4-dinitrobenzohydrazide
SMILESO=C(CCN1CCOCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C14H17N5O7/c20-13(3-4-17-5-7-26-8-6-17)15-16-14(21)11-2-1-10(18(22)23)9-12(11)19(24)25/h1-2,9H,3-8H2,(H,15,20)(H,16,21)
InChIKeyCIBIOVALEVZLAW-UHFFFAOYSA-N
MW367.32 g/mol
LogP-0.01
Rot. Bonds6

About N'-(3-morpholin-4-ylpropanoyl)-2,4-dinitrobenzohydrazide

N'-(3-morpholin-4-ylpropanoyl)-2,4-dinitrobenzohydrazide (PubChem CID 4227060) has the molecular formula C14H17N5O7 and a molecular weight of 367.32 g/mol. Its IUPAC name is N'-(3-morpholin-4-ylpropanoyl)-2,4-dinitrobenzohydrazide.

Molecular Properties

Compound NameN'-(3-morpholin-4-ylpropanoyl)-2,4-dinitrobenzohydrazide
PubChem CID4227060
Molecular FormulaC14H17N5O7
Molecular Weight367.32 g/mol
Exact Mass367.11
IUPAC NameN'-(3-morpholin-4-ylpropanoyl)-2,4-dinitrobenzohydrazide
SMILESO=C(CCN1CCOCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C14H17N5O7/c20-13(3-4-17-5-7-26-8-6-17)15-16-14(21)11-2-1-10(18(22)23)9-12(11)19(24)25/h1-2,9H,3-8H2,(H,15,20)(H,16,21)
InChIKeyCIBIOVALEVZLAW-UHFFFAOYSA-N
XLogP-0.01
TPSA156.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'-(3-morpholin-4-ylpropanoyl)-2,4-dinitrobenzohydrazide?
The IUPAC name of N'-(3-morpholin-4-ylpropanoyl)-2,4-dinitrobenzohydrazide (CID 4227060) is N'-(3-morpholin-4-ylpropanoyl)-2,4-dinitrobenzohydrazide.
What is the SMILES notation for N'-(3-morpholin-4-ylpropanoyl)-2,4-dinitrobenzohydrazide?
The canonical SMILES for N'-(3-morpholin-4-ylpropanoyl)-2,4-dinitrobenzohydrazide is O=C(CCN1CCOCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of N'-(3-morpholin-4-ylpropanoyl)-2,4-dinitrobenzohydrazide?
The InChIKey is CIBIOVALEVZLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O7/c20-13(3-4-17-5-7-26-8-6-17)15-16-14(21)11-2-1-10(18(22)23)9-12(11)19(24)25/h1-2,9H,3-8H2,(H,15,20)(H,16,21).
What are the key properties of N'-(3-morpholin-4-ylpropanoyl)-2,4-dinitrobenzohydrazide?
N'-(3-morpholin-4-ylpropanoyl)-2,4-dinitrobenzohydrazide has a molecular weight of 367.32 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-morpholin-4-ylpropanoyl)-2,4-dinitrobenzohydrazide is sourced from PubChem (CID 4227060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).