N-[(E)-[5-nitro-2-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide

C17H17N3O5 — CID 5349970

IUPACN-[(E)-[5-nitro-2-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1OCCOc1ccccc1
InChIInChI=1S/C17H17N3O5/c1-13(21)19-18-12-14-11-15(20(22)23)7-8-17(14)25-10-9-24-16-5-3-2-4-6-16/h2-8,11-12H,9-10H2,1H3,(H,19,21)/b18-12+
InChIKeyNWEQEDOHGVIEDI-LDADJPATSA-N
MW343.34 g/mol
LogP2.52
Rot. Bonds8

About N-[(E)-[5-nitro-2-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide

N-[(E)-[5-nitro-2-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide (PubChem CID 5349970) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[(E)-[5-nitro-2-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-[5-nitro-2-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide
PubChem CID5349970
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[(E)-[5-nitro-2-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1OCCOc1ccccc1
InChIInChI=1S/C17H17N3O5/c1-13(21)19-18-12-14-11-15(20(22)23)7-8-17(14)25-10-9-24-16-5-3-2-4-6-16/h2-8,11-12H,9-10H2,1H3,(H,19,21)/b18-12+
InChIKeyNWEQEDOHGVIEDI-LDADJPATSA-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

methyl (2E)-2-{2-[(4-fluorobenzyl)oxy]-5-nitrobenzylidene}hydrazinecarboxylate
CID 6866533
ethyl (2E)-2-{2-[(2-fluorobenzyl)oxy]-5-nitrobenzylidene}hydrazinecarboxylate
CID 6866135
methyl (2E)-2-{2-[(2-fluorobenzyl)oxy]-5-nitrobenzylidene}hydrazinecarboxylate
CID 6867106
N-[(2-Ethoxyphenyl)methylideneamino]-2-nitro-aniline
CID 5332424
[(E)-[5-nitro-2-(2-phenoxyethoxy)phenyl]methylideneamino]thiourea
CID 5349801
(2E)-2-(5-nitro-2-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)hydrazinecarboxamide
CID 5349888
(E)-4-(4-chloro-2-methylphenoxy)-N'-(3-nitrobenzylidene)butanehydrazide
CID 6870626
2-[(3-Methylbenzyl)oxy]benzaldehyde {4-nitrophenyl}hydrazone
CID 9606709
N-[(E)-[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide
CID 9677640
(Z)-N'-(2-hydroxy-3-methyl-5-nitrobenzylidene)-2,3-dihydrobenzo[b][1,4]dioxine-2-carbohydrazide
CID 135845991
N'-(4-Nitrobenzylidene)-2-phenoxyacetohydrazide
CID 9556570
2-(2-Methoxyphenoxy)-N'-(3-nitrobenzylidene)acetohydrazide
CID 6870858

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-nitro-2-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide?
The IUPAC name of N-[(E)-[5-nitro-2-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide (CID 5349970) is N-[(E)-[5-nitro-2-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide.
What is the SMILES notation for N-[(E)-[5-nitro-2-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide?
The canonical SMILES for N-[(E)-[5-nitro-2-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide is CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1OCCOc1ccccc1.
What is the InChIKey of N-[(E)-[5-nitro-2-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide?
The InChIKey is NWEQEDOHGVIEDI-LDADJPATSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-13(21)19-18-12-14-11-15(20(22)23)7-8-17(14)25-10-9-24-16-5-3-2-4-6-16/h2-8,11-12H,9-10H2,1H3,(H,19,21)/b18-12+.
What are the key properties of N-[(E)-[5-nitro-2-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide?
N-[(E)-[5-nitro-2-(2-phenoxyethoxy)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-[(E)-[5-nitro-2-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 5349970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).