N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide

C15H14N2O5 — CID 46663706

IUPACN-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])c(O)c1
InChIInChI=1S/C15H14N2O5/c1-10-6-7-11(13(18)8-10)16-15(19)9-22-14-5-3-2-4-12(14)17(20)21/h2-8,18H,9H2,1H3,(H,16,19)
InChIKeyBBTUEYHHSITNBP-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.63
Rot. Bonds5

About N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide

N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 46663706) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
PubChem CID46663706
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC NameN-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])c(O)c1
InChIInChI=1S/C15H14N2O5/c1-10-6-7-11(13(18)8-10)16-15(19)9-22-14-5-3-2-4-12(14)17(20)21/h2-8,18H,9H2,1H3,(H,16,19)
InChIKeyBBTUEYHHSITNBP-UHFFFAOYSA-N
XLogP2.63
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500579
N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751875
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2626827
N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256
2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 19173234
N-(5-methyl-2-pyridinyl)-2-(2-nitrophenoxy)acetamide
CID 2319869
5-hydroxy-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid
CID 17296562
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide
CID 4931287
2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26247019
N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690934
N-(2,5-dibromophenyl)-2-(2-nitrophenoxy)acetamide
CID 39166885
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9370222

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide (CID 46663706) is N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide is Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is BBTUEYHHSITNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-10-6-7-11(13(18)8-10)16-15(19)9-22-14-5-3-2-4-12(14)17(20)21/h2-8,18H,9H2,1H3,(H,16,19).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide?
N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 302.29 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 46663706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).