N-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]acetamide

C17H17N3O5 — CID 3720549

IUPACN-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]acetamide
SMILESCC(=O)NN=Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C17H17N3O5/c1-13(21)19-18-12-14-3-2-4-17(11-14)25-10-9-24-16-7-5-15(6-8-16)20(22)23/h2-8,11-12H,9-10H2,1H3,(H,19,21)
InChIKeyYOMUEZSRXSLLMI-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.52
Rot. Bonds8

About N-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]acetamide

N-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]acetamide (PubChem CID 3720549) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]acetamide
PubChem CID3720549
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]acetamide
SMILESCC(=O)NN=Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C17H17N3O5/c1-13(21)19-18-12-14-3-2-4-17(11-14)25-10-9-24-16-7-5-15(6-8-16)20(22)23/h2-8,11-12H,9-10H2,1H3,(H,19,21)
InChIKeyYOMUEZSRXSLLMI-UHFFFAOYSA-N
XLogP2.52
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide
CID 5154749
N-[(E)-(3-butoxyphenyl)methylideneamino]-4-nitroaniline
CID 110506439
N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 931984
2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4525378
N-[[2-[2-(3,4-dimethylphenoxy)ethoxy]-5-nitrophenyl]methylideneamino]acetamide
CID 3748909
N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide
CID 126397217
[3-[[[2-(4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 1238281
N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 6011810
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126056237
2-(4-methoxyphenoxy)-N-[(3-nitrophenyl)methylideneamino]acetamide
CID 774611
2-(4-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5404935
[3-[(Z)-[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6069123

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]acetamide?
The IUPAC name of N-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]acetamide (CID 3720549) is N-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]acetamide.
What is the SMILES notation for N-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]acetamide?
The canonical SMILES for N-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]acetamide is CC(=O)NN=Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]acetamide?
The InChIKey is YOMUEZSRXSLLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-13(21)19-18-12-14-3-2-4-17(11-14)25-10-9-24-16-7-5-15(6-8-16)20(22)23/h2-8,11-12H,9-10H2,1H3,(H,19,21).
What are the key properties of N-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]acetamide?
N-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]acetamide has a molecular weight of 343.34 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 3720549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).