2-(4-methoxyphenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide

C19H22N4O5 — CID 28689238

IUPAC2-(4-methoxyphenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(N3CCNCC3)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H22N4O5/c1-27-15-3-5-16(6-4-15)28-13-19(24)21-14-2-7-17(18(12-14)23(25)26)22-10-8-20-9-11-22/h2-7,12,20H,8-11,13H2,1H3,(H,21,24)
InChIKeyYAZZGZDKVGVJKQ-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.03
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide

2-(4-methoxyphenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide (PubChem CID 28689238) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide
PubChem CID28689238
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Name2-(4-methoxyphenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(N3CCNCC3)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H22N4O5/c1-27-15-3-5-16(6-4-15)28-13-19(24)21-14-2-7-17(18(12-14)23(25)26)22-10-8-20-9-11-22/h2-7,12,20H,8-11,13H2,1H3,(H,21,24)
InChIKeyYAZZGZDKVGVJKQ-UHFFFAOYSA-N
XLogP2.03
TPSA105.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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-(4-methoxyphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127200
2-(3-methylphenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide
CID 28689196
2-(2-nitrophenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide
CID 28689240
2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127189
[2-(4-methoxyanilino)-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate
CID 7784558
N-(3-nitro-4-piperazin-1-ylphenyl)-4-phenylmethoxybenzamide
CID 28689246
2-methoxy-N-(3-nitro-4-piperazin-1-ylphenyl)benzamide
CID 28689148
2-(4-chloro-3-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127202
4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127079
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
N-(4-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632419
3,4-dichloro-N-(3-nitro-4-piperazin-1-ylphenyl)benzamide
CID 28689107

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide (CID 28689238) is 2-(4-methoxyphenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide is COc1ccc(OCC(=O)Nc2ccc(N3CCNCC3)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide?
The InChIKey is YAZZGZDKVGVJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-27-15-3-5-16(6-4-15)28-13-19(24)21-14-2-7-17(18(12-14)23(25)26)22-10-8-20-9-11-22/h2-7,12,20H,8-11,13H2,1H3,(H,21,24).
What are the key properties of 2-(4-methoxyphenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide?
2-(4-methoxyphenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide has a molecular weight of 386.41 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide is sourced from PubChem (CID 28689238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).