N-(4-methoxy-2-nitrophenyl)-2-(4-methylphenoxy)acetamide

C16H16N2O5 — CID 563135

IUPACN-(4-methoxy-2-nitrophenyl)-2-(4-methylphenoxy)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(C)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O5/c1-11-3-5-12(6-4-11)23-10-16(19)17-14-8-7-13(22-2)9-15(14)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyPKLYMPNIYRYBAS-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.93
Rot. Bonds6

About N-(4-methoxy-2-nitrophenyl)-2-(4-methylphenoxy)acetamide

N-(4-methoxy-2-nitrophenyl)-2-(4-methylphenoxy)acetamide (PubChem CID 563135) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2-(4-methylphenoxy)acetamide
PubChem CID563135
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2-(4-methylphenoxy)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(C)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O5/c1-11-3-5-12(6-4-11)23-10-16(19)17-14-8-7-13(22-2)9-15(14)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyPKLYMPNIYRYBAS-UHFFFAOYSA-N
XLogP2.93
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-methoxy-2-nitrophenyl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(4-methylphenoxy)acetamide (CID 563135) is N-(4-methoxy-2-nitrophenyl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2-(4-methylphenoxy)acetamide is COc1ccc(NC(=O)COc2ccc(C)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2-(4-methylphenoxy)acetamide?
The InChIKey is PKLYMPNIYRYBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-11-3-5-12(6-4-11)23-10-16(19)17-14-8-7-13(22-2)9-15(14)18(20)21/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2-(4-methylphenoxy)acetamide?
N-(4-methoxy-2-nitrophenyl)-2-(4-methylphenoxy)acetamide has a molecular weight of 316.31 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 563135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).