N-[[2-(2-ethylpiperidin-1-yl)-5-nitrophenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide

C26H28N4O4 — CID 4054279

IUPACN-[[2-(2-ethylpiperidin-1-yl)-5-nitrophenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide
SMILESCCC1CCCCN1c1ccc([N+](=O)[O-])cc1C=NNC(=O)COc1cccc2ccccc12
InChIInChI=1S/C26H28N4O4/c1-2-21-10-5-6-15-29(21)24-14-13-22(30(32)33)16-20(24)17-27-28-26(31)18-34-25-12-7-9-19-8-3-4-11-23(19)25/h3-4,7-9,11-14,16-17,21H,2,5-6,10,15,18H2,1H3,(H,28,31)
InChIKeyLPZBLWSVDNXZLF-UHFFFAOYSA-N
MW460.53 g/mol
LogP5.05
Rot. Bonds8

About N-[[2-(2-ethylpiperidin-1-yl)-5-nitrophenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide

N-[[2-(2-ethylpiperidin-1-yl)-5-nitrophenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide (PubChem CID 4054279) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[[2-(2-ethylpiperidin-1-yl)-5-nitrophenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[[2-(2-ethylpiperidin-1-yl)-5-nitrophenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide
PubChem CID4054279
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN-[[2-(2-ethylpiperidin-1-yl)-5-nitrophenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide
SMILESCCC1CCCCN1c1ccc([N+](=O)[O-])cc1C=NNC(=O)COc1cccc2ccccc12
InChIInChI=1S/C26H28N4O4/c1-2-21-10-5-6-15-29(21)24-14-13-22(30(32)33)16-20(24)17-27-28-26(31)18-34-25-12-7-9-19-8-3-4-11-23(19)25/h3-4,7-9,11-14,16-17,21H,2,5-6,10,15,18H2,1H3,(H,28,31)
InChIKeyLPZBLWSVDNXZLF-UHFFFAOYSA-N
XLogP5.05
TPSA97.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 55.05
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

2-(2-methoxyphenoxy)-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]acetamide
CID 126002244
N-[(Z)-[2-(azepan-1-yl)-5-nitrophenyl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 92652307
2-(2,4-dichlorophenoxy)-N-[(E)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]acetamide
CID 56694365
N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 6034976
N-[[2-(azepan-1-yl)-5-nitrophenyl]methylideneamino]-2-(4-tert-butylphenoxy)acetamide
CID 4520791
N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-phenylacetamide
CID 126013378
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332460
2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide
CID 5187762
2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 3481888
2-[2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 135716427
N-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide
CID 2824719
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 137173454

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylpiperidin-1-yl)-5-nitrophenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[[2-(2-ethylpiperidin-1-yl)-5-nitrophenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide (CID 4054279) is N-[[2-(2-ethylpiperidin-1-yl)-5-nitrophenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[[2-(2-ethylpiperidin-1-yl)-5-nitrophenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[[2-(2-ethylpiperidin-1-yl)-5-nitrophenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide is CCC1CCCCN1c1ccc([N+](=O)[O-])cc1C=NNC(=O)COc1cccc2ccccc12.
What is the InChIKey of N-[[2-(2-ethylpiperidin-1-yl)-5-nitrophenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide?
The InChIKey is LPZBLWSVDNXZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-2-21-10-5-6-15-29(21)24-14-13-22(30(32)33)16-20(24)17-27-28-26(31)18-34-25-12-7-9-19-8-3-4-11-23(19)25/h3-4,7-9,11-14,16-17,21H,2,5-6,10,15,18H2,1H3,(H,28,31).
What are the key properties of N-[[2-(2-ethylpiperidin-1-yl)-5-nitrophenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide?
N-[[2-(2-ethylpiperidin-1-yl)-5-nitrophenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide has a molecular weight of 460.53 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylpiperidin-1-yl)-5-nitrophenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 4054279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).