2-[2-methoxy-4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-N-phenylacetamide

C22H20N4O5 — CID 110842113

IUPAC2-[2-methoxy-4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
SMILESCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C22H20N4O5/c1-30-21-13-16(14-23-25-18-8-10-19(11-9-18)26(28)29)7-12-20(21)31-15-22(27)24-17-5-3-2-4-6-17/h2-14,25H,15H2,1H3,(H,24,27)
InChIKeyDESJKARDYOKJBG-UHFFFAOYSA-N
MW420.43 g/mol
LogP4.07
Rot. Bonds9

About 2-[2-methoxy-4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-N-phenylacetamide

2-[2-methoxy-4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-N-phenylacetamide (PubChem CID 110842113) has the molecular formula C22H20N4O5 and a molecular weight of 420.43 g/mol. Its IUPAC name is 2-[2-methoxy-4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
PubChem CID110842113
Molecular FormulaC22H20N4O5
Molecular Weight420.43 g/mol
Exact Mass420.14
IUPAC Name2-[2-methoxy-4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
SMILESCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C22H20N4O5/c1-30-21-13-16(14-23-25-18-8-10-19(11-9-18)26(28)29)7-12-20(21)31-15-22(27)24-17-5-3-2-4-6-17/h2-14,25H,15H2,1H3,(H,24,27)
InChIKeyDESJKARDYOKJBG-UHFFFAOYSA-N
XLogP4.07
TPSA115.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 7232445
2-[4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 126013668
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-nitroaniline
CID 139068939
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline
CID 6131990
methyl 2-[[2-[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetyl]amino]benzoate
CID 169383486
4-[(2E)-2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 45466645
(2R)-2-[2-methoxy-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 126019714
N-(4-ethoxyphenyl)-2-[2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 169383482
2-[2-methoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 126014913
N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methylideneamino]-4-nitrobenzamide
CID 126275043
N-[(E)-[4-[2-(4-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-3-nitrobenzamide
CID 126265070
N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]aniline
CID 169383316

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-methoxy-4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-N-phenylacetamide (CID 110842113) is 2-[2-methoxy-4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-methoxy-4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-methoxy-4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-N-phenylacetamide is COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-methoxy-4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-N-phenylacetamide?
The InChIKey is DESJKARDYOKJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5/c1-30-21-13-16(14-23-25-18-8-10-19(11-9-18)26(28)29)7-12-20(21)31-15-22(27)24-17-5-3-2-4-6-17/h2-14,25H,15H2,1H3,(H,24,27).
What are the key properties of 2-[2-methoxy-4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-N-phenylacetamide?
2-[2-methoxy-4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-N-phenylacetamide has a molecular weight of 420.43 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 110842113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).