2-(2-methoxyphenoxy)-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]acetamide

C21H24N4O5 — CID 126002244

IUPAC2-(2-methoxyphenoxy)-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]acetamide
SMILESCOc1ccccc1OCC(=O)N/N=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1
InChIInChI=1S/C21H24N4O5/c1-29-19-7-3-4-8-20(19)30-15-21(26)23-22-14-16-13-17(25(27)28)9-10-18(16)24-11-5-2-6-12-24/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3,(H,23,26)/b22-14-
InChIKeyMONUEQCEFZMYRG-HMAPJEAMSA-N
MW412.45 g/mol
LogP3.12
Rot. Bonds8

About 2-(2-methoxyphenoxy)-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]acetamide

2-(2-methoxyphenoxy)-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]acetamide (PubChem CID 126002244) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]acetamide
PubChem CID126002244
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC Name2-(2-methoxyphenoxy)-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]acetamide
SMILESCOc1ccccc1OCC(=O)N/N=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1
InChIInChI=1S/C21H24N4O5/c1-29-19-7-3-4-8-20(19)30-15-21(26)23-22-14-16-13-17(25(27)28)9-10-18(16)24-11-5-2-6-12-24/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3,(H,23,26)/b22-14-
InChIKeyMONUEQCEFZMYRG-HMAPJEAMSA-N
XLogP3.12
TPSA106.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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-[[2-(azepan-1-yl)-5-nitrophenyl]methylideneamino]-2-(4-tert-butylphenoxy)acetamide
CID 4520791
N-[(E)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 126118156
N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-phenylacetamide
CID 126013378
N-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide
CID 2824719
N-[[2-(2-ethylpiperidin-1-yl)-5-nitrophenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 4054279
[(E)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]thiourea
CID 98005259
N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 6034976
[(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]thiourea
CID 3604814
N-[(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 3388100
2-(2-chlorophenoxy)-N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 4006296

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]acetamide (CID 126002244) is 2-(2-methoxyphenoxy)-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]acetamide is COc1ccccc1OCC(=O)N/N=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]acetamide?
The InChIKey is MONUEQCEFZMYRG-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-29-19-7-3-4-8-20(19)30-15-21(26)23-22-14-16-13-17(25(27)28)9-10-18(16)24-11-5-2-6-12-24/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3,(H,23,26)/b22-14-.
What are the key properties of 2-(2-methoxyphenoxy)-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]acetamide?
2-(2-methoxyphenoxy)-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]acetamide has a molecular weight of 412.45 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 126002244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).