N-(2-methyl-5-nitrophenyl)-2-(3-propan-2-ylphenoxy)acetamide

C18H20N2O4 — CID 19176000

IUPACN-(2-methyl-5-nitrophenyl)-2-(3-propan-2-ylphenoxy)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)COc1cccc(C(C)C)c1
InChIInChI=1S/C18H20N2O4/c1-12(2)14-5-4-6-16(9-14)24-11-18(21)19-17-10-15(20(22)23)8-7-13(17)3/h4-10,12H,11H2,1-3H3,(H,19,21)
InChIKeyBTPCSNPWVLBONC-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.04
Rot. Bonds6

About N-(2-methyl-5-nitrophenyl)-2-(3-propan-2-ylphenoxy)acetamide

N-(2-methyl-5-nitrophenyl)-2-(3-propan-2-ylphenoxy)acetamide (PubChem CID 19176000) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)-2-(3-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)-2-(3-propan-2-ylphenoxy)acetamide
PubChem CID19176000
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-(2-methyl-5-nitrophenyl)-2-(3-propan-2-ylphenoxy)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)COc1cccc(C(C)C)c1
InChIInChI=1S/C18H20N2O4/c1-12(2)14-5-4-6-16(9-14)24-11-18(21)19-17-10-15(20(22)23)8-7-13(17)3/h4-10,12H,11H2,1-3H3,(H,19,21)
InChIKeyBTPCSNPWVLBONC-UHFFFAOYSA-N
XLogP4.04
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 16782919
2-(4-butan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 4959294
2-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 926865
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 695153
2-(4-chloro-3-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 883750
methyl 4-[2-(2-methyl-5-nitroanilino)-2-oxoethoxy]benzoate
CID 7965140
2-(4-iodophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 55326089
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 918188
N-(2-methyl-5-nitrophenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126251064
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175939
N-(2-hydroxy-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17342416
N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
CID 110884621

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)-2-(3-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-methyl-5-nitrophenyl)-2-(3-propan-2-ylphenoxy)acetamide (CID 19176000) is N-(2-methyl-5-nitrophenyl)-2-(3-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)-2-(3-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)-2-(3-propan-2-ylphenoxy)acetamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1cccc(C(C)C)c1.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)-2-(3-propan-2-ylphenoxy)acetamide?
The InChIKey is BTPCSNPWVLBONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12(2)14-5-4-6-16(9-14)24-11-18(21)19-17-10-15(20(22)23)8-7-13(17)3/h4-10,12H,11H2,1-3H3,(H,19,21).
What are the key properties of N-(2-methyl-5-nitrophenyl)-2-(3-propan-2-ylphenoxy)acetamide?
N-(2-methyl-5-nitrophenyl)-2-(3-propan-2-ylphenoxy)acetamide has a molecular weight of 328.37 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)-2-(3-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 19176000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).