N-[2-[2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide

C26H26N4O7 — CID 3477141

IUPACN-[2-[2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
SMILESCCOc1cc(C=NNC(=O)CNC(=O)c2ccccc2OC)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C26H26N4O7/c1-3-36-24-14-19(10-13-23(24)37-17-18-8-11-20(12-9-18)30(33)34)15-28-29-25(31)16-27-26(32)21-6-4-5-7-22(21)35-2/h4-15H,3,16-17H2,1-2H3,(H,27,32)(H,29,31)
InChIKeyGZKPJSQQFWXCBY-UHFFFAOYSA-N
MW506.52 g/mol
LogP3.46
Rot. Bonds12

About N-[2-[2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide

N-[2-[2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide (PubChem CID 3477141) has the molecular formula C26H26N4O7 and a molecular weight of 506.52 g/mol. Its IUPAC name is N-[2-[2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
PubChem CID3477141
Molecular FormulaC26H26N4O7
Molecular Weight506.52 g/mol
Exact Mass506.18
IUPAC NameN-[2-[2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
SMILESCCOc1cc(C=NNC(=O)CNC(=O)c2ccccc2OC)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C26H26N4O7/c1-3-36-24-14-19(10-13-23(24)37-17-18-8-11-20(12-9-18)30(33)34)15-28-29-25(31)16-27-26(32)21-6-4-5-7-22(21)35-2/h4-15H,3,16-17H2,1-2H3,(H,27,32)(H,29,31)
InChIKeyGZKPJSQQFWXCBY-UHFFFAOYSA-N
XLogP3.46
TPSA141.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.52
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
CID 4571378
N-[(E)-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126329395
[2-ethoxy-4-[[[2-(4-nitrophenyl)acetyl]hydrazinylidene]methyl]phenyl] 2-methoxybenzoate
CID 3566610
N-[2-[2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 4289285
N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506601
N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 124541148
2-methoxy-N-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6107015
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 3512244
N'-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-N-phenylbutanediamide
CID 5206383
2-bromo-N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 29146920
2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 19657564
N-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 3367862

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide (CID 3477141) is N-[2-[2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide is CCOc1cc(C=NNC(=O)CNC(=O)c2ccccc2OC)ccc1OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-[2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide?
The InChIKey is GZKPJSQQFWXCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O7/c1-3-36-24-14-19(10-13-23(24)37-17-18-8-11-20(12-9-18)30(33)34)15-28-29-25(31)16-27-26(32)21-6-4-5-7-22(21)35-2/h4-15H,3,16-17H2,1-2H3,(H,27,32)(H,29,31).
What are the key properties of N-[2-[2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide?
N-[2-[2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide has a molecular weight of 506.52 g/mol, XLogP of 3.46, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide is sourced from PubChem (CID 3477141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).