N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide

C20H18N4O4 — CID 6897427

IUPACN-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
SMILESCOc1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C20H18N4O4/c1-28-19-10-9-14(11-18(19)24(26)27)12-22-23-20(25)13-21-17-8-4-6-15-5-2-3-7-16(15)17/h2-12,21H,13H2,1H3,(H,23,25)/b22-12+
InChIKeyXNNXQEDNTJMCHB-WSDLNYQXSA-N
MW378.39 g/mol
LogP3.32
Rot. Bonds7

About N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide

N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide (PubChem CID 6897427) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
PubChem CID6897427
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC NameN-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
SMILESCOc1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C20H18N4O4/c1-28-19-10-9-14(11-18(19)24(26)27)12-22-23-20(25)13-21-17-8-4-6-15-5-2-3-7-16(15)17/h2-12,21H,13H2,1H3,(H,23,25)/b22-12+
InChIKeyXNNXQEDNTJMCHB-WSDLNYQXSA-N
XLogP3.32
TPSA105.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 135641791
N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 6172896
N-[(3-iodo-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 1246283
N-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 3874837
N-[(3,4-diethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 1350700
N-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-(2-methoxyanilino)acetamide
CID 27877625
N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5446414
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
CID 19165668
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 4661365
N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 3975909
[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea
CID 71670048
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 8974942

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The IUPAC name of N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide (CID 6897427) is N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide.
What is the SMILES notation for N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The canonical SMILES for N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide is COc1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1[N+](=O)[O-].
What is the InChIKey of N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The InChIKey is XNNXQEDNTJMCHB-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-28-19-10-9-14(11-18(19)24(26)27)12-22-23-20(25)13-21-17-8-4-6-15-5-2-3-7-16(15)17/h2-12,21H,13H2,1H3,(H,23,25)/b22-12+.
What are the key properties of N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide has a molecular weight of 378.39 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide is sourced from PubChem (CID 6897427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).