N-[(Z)-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide

C23H26N4O7 — CID 92652570

IUPACN-[(Z)-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide
SMILESCOc1cc(/C=N\NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C23H26N4O7/c1-32-21-13-17(5-10-20(21)34-16-23(29)26-11-3-2-4-12-26)14-24-25-22(28)15-33-19-8-6-18(7-9-19)27(30)31/h5-10,13-14H,2-4,11-12,15-16H2,1H3,(H,25,28)/b24-14-
InChIKeyYHFSQWRVEITBMH-OYKKKHCWSA-N
MW470.48 g/mol
LogP2.52
Rot. Bonds10

About N-[(Z)-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide

N-[(Z)-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide (PubChem CID 92652570) has the molecular formula C23H26N4O7 and a molecular weight of 470.48 g/mol. Its IUPAC name is N-[(Z)-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide
PubChem CID92652570
Molecular FormulaC23H26N4O7
Molecular Weight470.48 g/mol
Exact Mass470.18
IUPAC NameN-[(Z)-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide
SMILESCOc1cc(/C=N\NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C23H26N4O7/c1-32-21-13-17(5-10-20(21)34-16-23(29)26-11-3-2-4-12-26)14-24-25-22(28)15-33-19-8-6-18(7-9-19)27(30)31/h5-10,13-14H,2-4,11-12,15-16H2,1H3,(H,25,28)/b24-14-
InChIKeyYHFSQWRVEITBMH-OYKKKHCWSA-N
XLogP2.52
TPSA132.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[(E)-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 46502216
2-(4-chlorophenoxy)-N-[(Z)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]acetamide
CID 51641793
[2-methoxy-4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 3732474
2-(4-tert-butylphenoxy)-N-[(E)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]acetamide
CID 42992097
[2-methoxy-4-[(Z)-[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 6078682
[2-methoxy-4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 3598745
2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4041679
2-(3,4-dimethylphenoxy)-N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]acetamide
CID 71950693
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 3512244
[2-bromo-4-[(Z)-[[2-(4-bromo-2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 6062422
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5414565

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[(Z)-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide (CID 92652570) is N-[(Z)-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[(Z)-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide is COc1cc(/C=N\NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of N-[(Z)-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide?
The InChIKey is YHFSQWRVEITBMH-OYKKKHCWSA-N. The full InChI is InChI=1S/C23H26N4O7/c1-32-21-13-17(5-10-20(21)34-16-23(29)26-11-3-2-4-12-26)14-24-25-22(28)15-33-19-8-6-18(7-9-19)27(30)31/h5-10,13-14H,2-4,11-12,15-16H2,1H3,(H,25,28)/b24-14-.
What are the key properties of N-[(Z)-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide?
N-[(Z)-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide has a molecular weight of 470.48 g/mol, XLogP of 2.52, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 92652570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).