2-(4-aminophenyl)-N-[(Z)-[3-methoxy-4-[(3-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]acetamide

C24H24N4O5 — CID 110515120

IUPAC2-(4-aminophenyl)-N-[(Z)-[3-methoxy-4-[(3-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]acetamide
SMILESCOc1cc(/C=N\NC(=O)Cc2ccc(N)cc2)cc([N+](=O)[O-])c1OCc1cccc(C)c1
InChIInChI=1S/C24H24N4O5/c1-16-4-3-5-18(10-16)15-33-24-21(28(30)31)11-19(12-22(24)32-2)14-26-27-23(29)13-17-6-8-20(25)9-7-17/h3-12,14H,13,15,25H2,1-2H3,(H,27,29)/b26-14-
InChIKeyUITAREPEWHEUGH-WGARJPEWSA-N
MW448.48 g/mol
LogP3.77
Rot. Bonds9

About 2-(4-aminophenyl)-N-[(Z)-[3-methoxy-4-[(3-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]acetamide

2-(4-aminophenyl)-N-[(Z)-[3-methoxy-4-[(3-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]acetamide (PubChem CID 110515120) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(Z)-[3-methoxy-4-[(3-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(Z)-[3-methoxy-4-[(3-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]acetamide
PubChem CID110515120
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Name2-(4-aminophenyl)-N-[(Z)-[3-methoxy-4-[(3-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]acetamide
SMILESCOc1cc(/C=N\NC(=O)Cc2ccc(N)cc2)cc([N+](=O)[O-])c1OCc1cccc(C)c1
InChIInChI=1S/C24H24N4O5/c1-16-4-3-5-18(10-16)15-33-24-21(28(30)31)11-19(12-22(24)32-2)14-26-27-23(29)13-17-6-8-20(25)9-7-17/h3-12,14H,13,15,25H2,1-2H3,(H,27,29)/b26-14-
InChIKeyUITAREPEWHEUGH-WGARJPEWSA-N
XLogP3.77
TPSA129.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'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

2-(4-aminophenyl)-N-[(Z)-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 110515122
N-[(Z)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 110515581
N-[(Z)-(4-butoxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 110515301
N-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 3433096
N-[(E)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide
CID 59185880
[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]urea
CID 110535239
4-hydroxy-N-[(Z)-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 110509401
2-(4-chlorophenyl)-N-[(Z)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 110515753
N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]pentanamide
CID 110506854
N-[(Z)-(3-methoxy-5-nitro-4-propan-2-yloxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 110515419
N-[(Z)-[3-methoxy-4-[(3-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511895
2-amino-N-[(Z)-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 110510231

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(Z)-[3-methoxy-4-[(3-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[(Z)-[3-methoxy-4-[(3-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]acetamide (CID 110515120) is 2-(4-aminophenyl)-N-[(Z)-[3-methoxy-4-[(3-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(Z)-[3-methoxy-4-[(3-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[(Z)-[3-methoxy-4-[(3-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]acetamide is COc1cc(/C=N\NC(=O)Cc2ccc(N)cc2)cc([N+](=O)[O-])c1OCc1cccc(C)c1.
What is the InChIKey of 2-(4-aminophenyl)-N-[(Z)-[3-methoxy-4-[(3-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]acetamide?
The InChIKey is UITAREPEWHEUGH-WGARJPEWSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-16-4-3-5-18(10-16)15-33-24-21(28(30)31)11-19(12-22(24)32-2)14-26-27-23(29)13-17-6-8-20(25)9-7-17/h3-12,14H,13,15,25H2,1-2H3,(H,27,29)/b26-14-.
What are the key properties of 2-(4-aminophenyl)-N-[(Z)-[3-methoxy-4-[(3-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]acetamide?
2-(4-aminophenyl)-N-[(Z)-[3-methoxy-4-[(3-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]acetamide has a molecular weight of 448.48 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[(Z)-[3-methoxy-4-[(3-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]acetamide is sourced from PubChem (CID 110515120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).