N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide

C21H17N3O4 — CID 6002004

IUPACN-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H17N3O4/c25-21(23-22-14-16-6-10-19(11-7-16)24(26)27)15-28-20-12-8-18(9-13-20)17-4-2-1-3-5-17/h1-14H,15H2,(H,23,25)/b22-14-
InChIKeyGSLHRTBTKJPHAE-HMAPJEAMSA-N
MW375.38 g/mol
LogP3.79
Rot. Bonds7

About N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide

N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide (PubChem CID 6002004) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
PubChem CID6002004
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC NameN-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H17N3O4/c25-21(23-22-14-16-6-10-19(11-7-16)24(26)27)15-28-20-12-8-18(9-13-20)17-4-2-1-3-5-17/h1-14H,15H2,(H,23,25)/b22-14-
InChIKeyGSLHRTBTKJPHAE-HMAPJEAMSA-N
XLogP3.79
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.79
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-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
N-[(E)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 6896409
2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 774635
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5414565
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 909373
N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 6167073
2-(3-chlorophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 7039861
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 7039350
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 135852679
2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
CID 92663646
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide
CID 5499286
N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 6106681

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide?
The IUPAC name of N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide (CID 6002004) is N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide is O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide?
The InChIKey is GSLHRTBTKJPHAE-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H17N3O4/c25-21(23-22-14-16-6-10-19(11-7-16)24(26)27)15-28-20-12-8-18(9-13-20)17-4-2-1-3-5-17/h1-14H,15H2,(H,23,25)/b22-14-.
What are the key properties of N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide?
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide has a molecular weight of 375.38 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide is sourced from PubChem (CID 6002004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).