N-(2-methoxy-5-nitrophenyl)-2-[2-(3-nitrobenzoyl)hydrazinyl]propanamide

C17H17N5O7 — CID 5005832

IUPACN-(2-methoxy-5-nitrophenyl)-2-[2-(3-nitrobenzoyl)hydrazinyl]propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H17N5O7/c1-10(19-20-17(24)11-4-3-5-12(8-11)21(25)26)16(23)18-14-9-13(22(27)28)6-7-15(14)29-2/h3-10,19H,1-2H3,(H,18,23)(H,20,24)
InChIKeyXOGASYWDBIFSLF-UHFFFAOYSA-N
MW403.35 g/mol
LogP1.77
Rot. Bonds8

About N-(2-methoxy-5-nitrophenyl)-2-[2-(3-nitrobenzoyl)hydrazinyl]propanamide

N-(2-methoxy-5-nitrophenyl)-2-[2-(3-nitrobenzoyl)hydrazinyl]propanamide (PubChem CID 5005832) has the molecular formula C17H17N5O7 and a molecular weight of 403.35 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-[2-(3-nitrobenzoyl)hydrazinyl]propanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-[2-(3-nitrobenzoyl)hydrazinyl]propanamide
PubChem CID5005832
Molecular FormulaC17H17N5O7
Molecular Weight403.35 g/mol
Exact Mass403.11
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-[2-(3-nitrobenzoyl)hydrazinyl]propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H17N5O7/c1-10(19-20-17(24)11-4-3-5-12(8-11)21(25)26)16(23)18-14-9-13(22(27)28)6-7-15(14)29-2/h3-10,19H,1-2H3,(H,18,23)(H,20,24)
InChIKeyXOGASYWDBIFSLF-UHFFFAOYSA-N
XLogP1.77
TPSA165.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 51.77
H-Bond Donors ≤ 53
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-(2-methoxy-5-nitrophenyl)-2-[2-(3-nitrobenzoyl)hydrazinyl]propanamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-[2-(3-nitrobenzoyl)hydrazinyl]propanamide (CID 5005832) is N-(2-methoxy-5-nitrophenyl)-2-[2-(3-nitrobenzoyl)hydrazinyl]propanamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-[2-(3-nitrobenzoyl)hydrazinyl]propanamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-[2-(3-nitrobenzoyl)hydrazinyl]propanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-[2-(3-nitrobenzoyl)hydrazinyl]propanamide?
The InChIKey is XOGASYWDBIFSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O7/c1-10(19-20-17(24)11-4-3-5-12(8-11)21(25)26)16(23)18-14-9-13(22(27)28)6-7-15(14)29-2/h3-10,19H,1-2H3,(H,18,23)(H,20,24).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-[2-(3-nitrobenzoyl)hydrazinyl]propanamide?
N-(2-methoxy-5-nitrophenyl)-2-[2-(3-nitrobenzoyl)hydrazinyl]propanamide has a molecular weight of 403.35 g/mol, XLogP of 1.77, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2-[2-(3-nitrobenzoyl)hydrazinyl]propanamide is sourced from PubChem (CID 5005832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).