N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide

C16H15N3O5 — CID 19165668

IUPACN-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
SMILESCOc1ccc(/C=N/NC(=O)COc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O5/c1-23-15-8-7-12(9-14(15)19(21)22)10-17-18-16(20)11-24-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,20)/b17-10+
InChIKeyKHCBMPSCONFKSZ-LICLKQGHSA-N
MW329.31 g/mol
LogP2.13
Rot. Bonds7

About N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide

N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide (PubChem CID 19165668) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
PubChem CID19165668
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
SMILESCOc1ccc(/C=N/NC(=O)COc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O5/c1-23-15-8-7-12(9-14(15)19(21)22)10-17-18-16(20)11-24-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,20)/b17-10+
InChIKeyKHCBMPSCONFKSZ-LICLKQGHSA-N
XLogP2.13
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
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-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5446414
2-(3-chlorophenoxy)-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide
CID 19165680
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
CID 136699135
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
CID 19182437
N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 135590226
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 5339776
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-phenoxyacetamide
CID 135738473
[2-methoxy-4-[(Z)-[[2-(4-methyl-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 41031518
N-[(4-chloro-3-methoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1138089
[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea
CID 71670048
N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 41301188
N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 135544833

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide?
The IUPAC name of N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide (CID 19165668) is N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide.
What is the SMILES notation for N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide?
The canonical SMILES for N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide is COc1ccc(/C=N/NC(=O)COc2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide?
The InChIKey is KHCBMPSCONFKSZ-LICLKQGHSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-23-15-8-7-12(9-14(15)19(21)22)10-17-18-16(20)11-24-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,20)/b17-10+.
What are the key properties of N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide?
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide has a molecular weight of 329.31 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 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-phenoxyacetamide is sourced from PubChem (CID 19165668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).