N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide

C25H24N4O6 — CID 124553440

IUPACN-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
SMILESCOc1cc(/C=N/NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C25H24N4O6/c1-17-7-10-20(11-8-17)27-25(31)16-35-22-12-9-18(13-23(22)34-2)15-26-28-24(30)14-19-5-3-4-6-21(19)29(32)33/h3-13,15H,14,16H2,1-2H3,(H,27,31)(H,28,30)/b26-15+
InChIKeyHDGOKEZPZMPOSP-CVKSISIWSA-N
MW476.49 g/mol
LogP3.62
Rot. Bonds10

About N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide

N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide (PubChem CID 124553440) has the molecular formula C25H24N4O6 and a molecular weight of 476.49 g/mol. Its IUPAC name is N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
PubChem CID124553440
Molecular FormulaC25H24N4O6
Molecular Weight476.49 g/mol
Exact Mass476.17
IUPAC NameN-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
SMILESCOc1cc(/C=N/NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C25H24N4O6/c1-17-7-10-20(11-8-17)27-25(31)16-35-22-12-9-18(13-23(22)34-2)15-26-28-24(30)14-19-5-3-4-6-21(19)29(32)33/h3-13,15H,14,16H2,1-2H3,(H,27,31)(H,28,30)/b26-15+
InChIKeyHDGOKEZPZMPOSP-CVKSISIWSA-N
XLogP3.62
TPSA132.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 53.62
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-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 124551020
N-[(E)-[3-bromo-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 126375829
N-[(E)-[3-chloro-4-[2-(4-fluoroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 126378612
2-[2-methoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 126014913
N-[(4-methylphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 3663531
2-[4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 126013668
N-[(4-butan-2-yloxy-3-methoxyphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 3252577
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 124553151
N-[(Z)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126014699
2-[4-[(benzylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 110839716
N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126170289
N-benzyl-N'-[(Z)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126160542

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide (CID 124553440) is N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide is COc1cc(/C=N/NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide?
The InChIKey is HDGOKEZPZMPOSP-CVKSISIWSA-N. The full InChI is InChI=1S/C25H24N4O6/c1-17-7-10-20(11-8-17)27-25(31)16-35-22-12-9-18(13-23(22)34-2)15-26-28-24(30)14-19-5-3-4-6-21(19)29(32)33/h3-13,15H,14,16H2,1-2H3,(H,27,31)(H,28,30)/b26-15+.
What are the key properties of N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide?
N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide has a molecular weight of 476.49 g/mol, XLogP of 3.62, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 124553440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).