4-(2-methylpropoxy)-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide

C20H23N3O6 — CID 9206169

IUPAC4-(2-methylpropoxy)-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide
SMILESCC(C)COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C20H23N3O6/c1-13(2)12-28-16-10-8-15(9-11-16)20(25)22-21-19(24)14(3)29-18-7-5-4-6-17(18)23(26)27/h4-11,13-14H,12H2,1-3H3,(H,21,24)(H,22,25)/t14-/m1/s1
InChIKeyBHOXWKJPPPXDQE-CQSZACIVSA-N
MW401.42 g/mol
LogP2.86
Rot. Bonds8

About 4-(2-methylpropoxy)-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide

4-(2-methylpropoxy)-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide (PubChem CID 9206169) has the molecular formula C20H23N3O6 and a molecular weight of 401.42 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide
PubChem CID9206169
Molecular FormulaC20H23N3O6
Molecular Weight401.42 g/mol
Exact Mass401.16
IUPAC Name4-(2-methylpropoxy)-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide
SMILESCC(C)COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C20H23N3O6/c1-13(2)12-28-16-10-8-15(9-11-16)20(25)22-21-19(24)14(3)29-18-7-5-4-6-17(18)23(26)27/h4-11,13-14H,12H2,1-3H3,(H,21,24)(H,22,25)/t14-/m1/s1
InChIKeyBHOXWKJPPPXDQE-CQSZACIVSA-N
XLogP2.86
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.86
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-(2-nitrophenoxy)propanoyl]-4-phenylmethoxybenzohydrazide
CID 4944324
4-tert-butyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 4944277
2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 4944143
3-bromo-4-methyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 4944269
3-methyl-N-[4-[[2-(2-nitrophenoxy)propanoylamino]carbamoyl]phenyl]benzamide
CID 4944222
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
(2R)-N'-[2-(2-methoxyphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 9206073
2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4947557
N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide
CID 4931669
4-ethoxy-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide
CID 9393219
2-(2-nitrophenoxy)-N-(4-propoxyphenyl)propanamide
CID 4943938
N'-[2-(3-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 4944192

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide?
The IUPAC name of 4-(2-methylpropoxy)-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide (CID 9206169) is 4-(2-methylpropoxy)-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 4-(2-methylpropoxy)-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 4-(2-methylpropoxy)-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide is CC(C)COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-(2-methylpropoxy)-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide?
The InChIKey is BHOXWKJPPPXDQE-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N3O6/c1-13(2)12-28-16-10-8-15(9-11-16)20(25)22-21-19(24)14(3)29-18-7-5-4-6-17(18)23(26)27/h4-11,13-14H,12H2,1-3H3,(H,21,24)(H,22,25)/t14-/m1/s1.
What are the key properties of 4-(2-methylpropoxy)-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide?
4-(2-methylpropoxy)-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide has a molecular weight of 401.42 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 9206169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).