N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide

C20H24N4O4 — CID 8688727

IUPACN-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCOc1cc(NC(=O)CN2CCN(c3ccccc3)CC2)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C20H24N4O4/c1-15-12-18(24(26)27)19(28-2)13-17(15)21-20(25)14-22-8-10-23(11-9-22)16-6-4-3-5-7-16/h3-7,12-13H,8-11,14H2,1-2H3,(H,21,25)
InChIKeyZNKTWXUQSGXRER-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.67
Rot. Bonds6

About N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide

N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 8688727) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID8688727
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCOc1cc(NC(=O)CN2CCN(c3ccccc3)CC2)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C20H24N4O4/c1-15-12-18(24(26)27)19(28-2)13-17(15)21-20(25)14-22-8-10-23(11-9-22)16-6-4-3-5-7-16/h3-7,12-13H,8-11,14H2,1-2H3,(H,21,25)
InChIKeyZNKTWXUQSGXRER-UHFFFAOYSA-N
XLogP2.67
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide (CID 8688727) is N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide is COc1cc(NC(=O)CN2CCN(c3ccccc3)CC2)c(C)cc1[N+](=O)[O-].
What is the InChIKey of N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is ZNKTWXUQSGXRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-15-12-18(24(26)27)19(28-2)13-17(15)21-20(25)14-22-8-10-23(11-9-22)16-6-4-3-5-7-16/h3-7,12-13H,8-11,14H2,1-2H3,(H,21,25).
What are the key properties of N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 384.44 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 8688727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).