(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide

C21H25N3O6 — CID 9206084

IUPAC(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C21H25N3O6/c1-13(2)16-10-9-14(3)11-19(16)29-12-20(25)22-23-21(26)15(4)30-18-8-6-5-7-17(18)24(27)28/h5-11,13,15H,12H2,1-4H3,(H,22,25)(H,23,26)/t15-/m1/s1
InChIKeyFBDZQJALUQDGRC-OAHLLOKOSA-N
MW415.45 g/mol
LogP3.02
Rot. Bonds8

About (2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide

(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide (PubChem CID 9206084) has the molecular formula C21H25N3O6 and a molecular weight of 415.45 g/mol. Its IUPAC name is (2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide.

Molecular Properties

Compound Name(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
PubChem CID9206084
Molecular FormulaC21H25N3O6
Molecular Weight415.45 g/mol
Exact Mass415.17
IUPAC Name(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C21H25N3O6/c1-13(2)16-10-9-14(3)11-19(16)29-12-20(25)22-23-21(26)15(4)30-18-8-6-5-7-17(18)24(27)28/h5-11,13,15H,12H2,1-4H3,(H,22,25)(H,23,26)/t15-/m1/s1
InChIKeyFBDZQJALUQDGRC-OAHLLOKOSA-N
XLogP3.02
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.02
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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Related Compounds

N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide
CID 4931287
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 4944233
N'-[2-(3-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 4944192
(2R)-N'-[2-(2-methoxyphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 9206073
(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927374
(2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 9241041
2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26247019
2-(2-methoxyphenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 35001550
N-(4-methoxy-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 17101923
(2R)-N-(2-methyl-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100746908
N'-[2-(2-chlorophenoxy)acetyl]-2-(2,5-dimethylphenoxy)propanehydrazide
CID 4945053
(2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941253

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide?
The IUPAC name of (2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide (CID 9206084) is (2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide.
What is the SMILES notation for (2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide?
The canonical SMILES for (2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide is Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of (2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide?
The InChIKey is FBDZQJALUQDGRC-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25N3O6/c1-13(2)16-10-9-14(3)11-19(16)29-12-20(25)22-23-21(26)15(4)30-18-8-6-5-7-17(18)24(27)28/h5-11,13,15H,12H2,1-4H3,(H,22,25)(H,23,26)/t15-/m1/s1.
What are the key properties of (2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide?
(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide has a molecular weight of 415.45 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide is sourced from PubChem (CID 9206084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).