N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide

C28H23N3O4 — CID 126397217

IUPACN-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide
SMILESO=C(N/N=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23N3O4/c32-28(27(23-9-3-1-4-10-23)24-11-5-2-6-12-24)30-29-19-22-8-7-13-26(18-22)35-20-21-14-16-25(17-15-21)31(33)34/h1-19,27H,20H2,(H,30,32)/b29-19-
InChIKeyRGAJVEAWPXLKRQ-CEUNXORHSA-N
MW465.51 g/mol
LogP5.46
Rot. Bonds9

About N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide

N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide (PubChem CID 126397217) has the molecular formula C28H23N3O4 and a molecular weight of 465.51 g/mol. Its IUPAC name is N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide
PubChem CID126397217
Molecular FormulaC28H23N3O4
Molecular Weight465.51 g/mol
Exact Mass465.17
IUPAC NameN-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide
SMILESO=C(N/N=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23N3O4/c32-28(27(23-9-3-1-4-10-23)24-11-5-2-6-12-24)30-29-19-22-8-7-13-26(18-22)35-20-21-14-16-25(17-15-21)31(33)34/h1-19,27H,20H2,(H,30,32)/b29-19-
InChIKeyRGAJVEAWPXLKRQ-CEUNXORHSA-N
XLogP5.46
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.51
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4525378
N-[(E)-[3-iodo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide
CID 126397766
3-ethoxy-N-[(E)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 126326150
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126056237
N-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]acetamide
CID 3720549
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide
CID 6029635
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide
CID 4673369
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide
CID 6182256
N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 6167073
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)propanamide
CID 3446462
2-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 932175
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide?
The IUPAC name of N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide (CID 126397217) is N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide is O=C(N/N=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide?
The InChIKey is RGAJVEAWPXLKRQ-CEUNXORHSA-N. The full InChI is InChI=1S/C28H23N3O4/c32-28(27(23-9-3-1-4-10-23)24-11-5-2-6-12-24)30-29-19-22-8-7-13-26(18-22)35-20-21-14-16-25(17-15-21)31(33)34/h1-19,27H,20H2,(H,30,32)/b29-19-.
What are the key properties of N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide?
N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide has a molecular weight of 465.51 g/mol, XLogP of 5.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 126397217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).