N'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide

C18H19N3O5 — CID 9297964

IUPACN'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide
SMILESCc1cccc(C)c1O[C@H](C)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O5/c1-11-6-4-7-12(2)16(11)26-13(3)17(22)19-20-18(23)14-8-5-9-15(10-14)21(24)25/h4-10,13H,1-3H3,(H,19,22)(H,20,23)/t13-/m1/s1
InChIKeyIQXGHYBUJPFPCI-CYBMUJFWSA-N
MW357.37 g/mol
LogP2.44
Rot. Bonds5

About N'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide

N'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide (PubChem CID 9297964) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide
PubChem CID9297964
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide
SMILESCc1cccc(C)c1O[C@H](C)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O5/c1-11-6-4-7-12(2)16(11)26-13(3)17(22)19-20-18(23)14-8-5-9-15(10-14)21(24)25/h4-10,13H,1-3H3,(H,19,22)(H,20,23)/t13-/m1/s1
InChIKeyIQXGHYBUJPFPCI-CYBMUJFWSA-N
XLogP2.44
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N'-[2-(2,5-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 4945052
N'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide
CID 4932285
N'-[(2S)-2-(4-tert-butylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 8573555
N'-(2-bromopropanoyl)-3-nitrobenzohydrazide
CID 3797916
N'-[2-(2,6-dimethylphenoxy)propanoyl]-2-nitrobenzohydrazide
CID 4958662
N'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-2-nitrobenzohydrazide
CID 9297820
N'-[2-(2-methylphenoxy)butanoyl]-3-nitrobenzohydrazide
CID 4932128
N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide
CID 4931669
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
(2R)-2-(2,6-dimethylphenoxy)-N-(4-nitrophenyl)propanamide
CID 9297382
N'-[2-(4-methylphenoxy)butanoyl]-3-nitrobenzohydrazide
CID 4950238
N'-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-2-methylbenzohydrazide
CID 9297840

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide?
The IUPAC name of N'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide (CID 9297964) is N'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide.
What is the SMILES notation for N'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide?
The canonical SMILES for N'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide is Cc1cccc(C)c1O[C@H](C)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide?
The InChIKey is IQXGHYBUJPFPCI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-11-6-4-7-12(2)16(11)26-13(3)17(22)19-20-18(23)14-8-5-9-15(10-14)21(24)25/h4-10,13H,1-3H3,(H,19,22)(H,20,23)/t13-/m1/s1.
What are the key properties of N'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide?
N'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide has a molecular weight of 357.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide is sourced from PubChem (CID 9297964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).