2-(3-methyl-4-nitrophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide

C18H20N2O5 — CID 1406826

IUPAC2-(3-methyl-4-nitrophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C18H20N2O5/c1-12(2)25-15-6-4-14(5-7-15)19-18(21)11-24-16-8-9-17(20(22)23)13(3)10-16/h4-10,12H,11H2,1-3H3,(H,19,21)
InChIKeyKPWAMKQYDAXONQ-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.71
Rot. Bonds7

About 2-(3-methyl-4-nitrophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide

2-(3-methyl-4-nitrophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 1406826) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(3-methyl-4-nitrophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-nitrophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
PubChem CID1406826
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-(3-methyl-4-nitrophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C18H20N2O5/c1-12(2)25-15-6-4-14(5-7-15)19-18(21)11-24-16-8-9-17(20(22)23)13(3)10-16/h4-10,12H,11H2,1-3H3,(H,19,21)
InChIKeyKPWAMKQYDAXONQ-UHFFFAOYSA-N
XLogP3.71
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.71
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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Related Compounds

2-methylpropyl 4-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzoate
CID 1406833
2-(3-methyl-4-nitrophenoxy)acetohydrazide
CID 2063569
N-[(2S)-butan-2-yl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406901
2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 4930992
N-tert-butyl-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406792
2-(3-methyl-4-nitrophenoxy)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 31880567
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 2508491
2-(3-methyl-4-nitrophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
CID 2072642
N-(5-acetamido-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide
CID 8648202
2-(4-ethoxyphenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 19177758
N,N-diethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzamide
CID 8648051
N-(4-butan-2-yloxyphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 17160586

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-nitrophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(3-methyl-4-nitrophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide (CID 1406826) is 2-(3-methyl-4-nitrophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(3-methyl-4-nitrophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(3-methyl-4-nitrophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide is Cc1cc(OCC(=O)Nc2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-methyl-4-nitrophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is KPWAMKQYDAXONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-12(2)25-15-6-4-14(5-7-15)19-18(21)11-24-16-8-9-17(20(22)23)13(3)10-16/h4-10,12H,11H2,1-3H3,(H,19,21).
What are the key properties of 2-(3-methyl-4-nitrophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide?
2-(3-methyl-4-nitrophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide has a molecular weight of 344.37 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-nitrophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 1406826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).