N-[(Z)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide

C25H28N4O4 — CID 6069398

IUPACN-[(Z)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide
SMILESCCCCN(CC)c1ccc([N+](=O)[O-])cc1/C=N\NC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C25H28N4O4/c1-3-5-14-28(4-2)24-13-11-22(29(31)32)15-21(24)17-26-27-25(30)18-33-23-12-10-19-8-6-7-9-20(19)16-23/h6-13,15-17H,3-5,14,18H2,1-2H3,(H,27,30)/b26-17-
InChIKeyLZRKINKIKRRCCY-ONUIUJJFSA-N
MW448.52 g/mol
LogP4.90
Rot. Bonds11

About N-[(Z)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide

N-[(Z)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide (PubChem CID 6069398) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[(Z)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(Z)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide
PubChem CID6069398
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-[(Z)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide
SMILESCCCCN(CC)c1ccc([N+](=O)[O-])cc1/C=N\NC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C25H28N4O4/c1-3-5-14-28(4-2)24-13-11-22(29(31)32)15-21(24)17-26-27-25(30)18-33-23-12-10-19-8-6-7-9-20(19)16-23/h6-13,15-17H,3-5,14,18H2,1-2H3,(H,27,30)/b26-17-
InChIKeyLZRKINKIKRRCCY-ONUIUJJFSA-N
XLogP4.90
TPSA97.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 774635
N-[(Z)-[2-[bis(2-methylpropyl)amino]-5-nitrophenyl]methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 6036793
N-[(E)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]pyridine-3-carboxamide
CID 46501939
N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 6034976
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5414565
N-[(E)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 6896409
N-[[2-[bis(2-methylpropyl)amino]-5-nitrophenyl]methylideneamino]-2-(2-bromophenoxy)acetamide
CID 4234942
2-naphthalen-2-yloxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 1237523
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 96881501
N-[(Z)-(2-methylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5428266
4-nitro-2-[[[2-(4-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenolate
CID 6998834
2-[(4-chlorophenyl)methylsulfanyl]-N-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]acetamide
CID 126002124

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[(Z)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide (CID 6069398) is N-[(Z)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[(Z)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[(Z)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide is CCCCN(CC)c1ccc([N+](=O)[O-])cc1/C=N\NC(=O)COc1ccc2ccccc2c1.
What is the InChIKey of N-[(Z)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide?
The InChIKey is LZRKINKIKRRCCY-ONUIUJJFSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-3-5-14-28(4-2)24-13-11-22(29(31)32)15-21(24)17-26-27-25(30)18-33-23-12-10-19-8-6-7-9-20(19)16-23/h6-13,15-17H,3-5,14,18H2,1-2H3,(H,27,30)/b26-17-.
What are the key properties of N-[(Z)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide?
N-[(Z)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide has a molecular weight of 448.52 g/mol, XLogP of 4.90, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 6069398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).