3-methoxy-N'-[2-(2-nitrophenyl)acetyl]-4-propan-2-yloxybenzohydrazide

C19H21N3O6 — CID 7972085

IUPAC3-methoxy-N'-[2-(2-nitrophenyl)acetyl]-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OC(C)C
InChIInChI=1S/C19H21N3O6/c1-12(2)28-16-9-8-14(10-17(16)27-3)19(24)21-20-18(23)11-13-6-4-5-7-15(13)22(25)26/h4-10,12H,11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyZEYFOJKTSFYFDJ-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.39
Rot. Bonds7

About 3-methoxy-N'-[2-(2-nitrophenyl)acetyl]-4-propan-2-yloxybenzohydrazide

3-methoxy-N'-[2-(2-nitrophenyl)acetyl]-4-propan-2-yloxybenzohydrazide (PubChem CID 7972085) has the molecular formula C19H21N3O6 and a molecular weight of 387.39 g/mol. Its IUPAC name is 3-methoxy-N'-[2-(2-nitrophenyl)acetyl]-4-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-[2-(2-nitrophenyl)acetyl]-4-propan-2-yloxybenzohydrazide
PubChem CID7972085
Molecular FormulaC19H21N3O6
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name3-methoxy-N'-[2-(2-nitrophenyl)acetyl]-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OC(C)C
InChIInChI=1S/C19H21N3O6/c1-12(2)28-16-9-8-14(10-17(16)27-3)19(24)21-20-18(23)11-13-6-4-5-7-15(13)22(25)26/h4-10,12H,11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyZEYFOJKTSFYFDJ-UHFFFAOYSA-N
XLogP2.39
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.39
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

3-methoxy-N'-[2-(2-methoxyphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4798027
3-methoxy-N'-[2-(2-methylphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 8621917
4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide
CID 9392138
4-anilino-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide
CID 46551142
3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 4931330
N'-[2-[(2-chlorophenyl)methoxy]acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 55789099
3,4-dimethoxy-N'-[2-(2-methoxyphenyl)acetyl]benzohydrazide
CID 24645288
3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide
CID 3120163
3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide
CID 7972010
4-ethoxy-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide
CID 7979562
N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 7972036
N'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 31724891

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-[2-(2-nitrophenyl)acetyl]-4-propan-2-yloxybenzohydrazide?
The IUPAC name of 3-methoxy-N'-[2-(2-nitrophenyl)acetyl]-4-propan-2-yloxybenzohydrazide (CID 7972085) is 3-methoxy-N'-[2-(2-nitrophenyl)acetyl]-4-propan-2-yloxybenzohydrazide.
What is the SMILES notation for 3-methoxy-N'-[2-(2-nitrophenyl)acetyl]-4-propan-2-yloxybenzohydrazide?
The canonical SMILES for 3-methoxy-N'-[2-(2-nitrophenyl)acetyl]-4-propan-2-yloxybenzohydrazide is COc1cc(C(=O)NNC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OC(C)C.
What is the InChIKey of 3-methoxy-N'-[2-(2-nitrophenyl)acetyl]-4-propan-2-yloxybenzohydrazide?
The InChIKey is ZEYFOJKTSFYFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6/c1-12(2)28-16-9-8-14(10-17(16)27-3)19(24)21-20-18(23)11-13-6-4-5-7-15(13)22(25)26/h4-10,12H,11H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 3-methoxy-N'-[2-(2-nitrophenyl)acetyl]-4-propan-2-yloxybenzohydrazide?
3-methoxy-N'-[2-(2-nitrophenyl)acetyl]-4-propan-2-yloxybenzohydrazide has a molecular weight of 387.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-[2-(2-nitrophenyl)acetyl]-4-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 7972085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).