N-(4-methoxy-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C19H22N2O5 — CID 17101923

IUPACN-(4-methoxy-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCOc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C19H22N2O5/c1-12(2)15-7-5-13(3)9-18(15)26-11-19(22)20-14-6-8-17(25-4)16(10-14)21(23)24/h5-10,12H,11H2,1-4H3,(H,20,22)
InChIKeyOKAQOQLDSIKYFX-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.05
Rot. Bonds7

About N-(4-methoxy-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-(4-methoxy-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 17101923) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-(4-methoxy-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID17101923
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-(4-methoxy-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCOc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C19H22N2O5/c1-12(2)15-7-5-13(3)9-18(15)26-11-19(22)20-14-6-8-17(25-4)16(10-14)21(23)24/h5-10,12H,11H2,1-4H3,(H,20,22)
InChIKeyOKAQOQLDSIKYFX-UHFFFAOYSA-N
XLogP4.05
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.05
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

N-(4-methoxy-3,5-dinitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 17050385
2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide
CID 17101974
N-(3,5-dimethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26218545
N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide
CID 4931287
N-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1325958
[2-(3-nitroanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8924638
N-(4-methoxy-3-nitrophenyl)propanamide
CID 2995377
methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 4787643
N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 8519000
propan-2-yl 4-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoate
CID 8564217
N-(4-cyanophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 921044

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(4-methoxy-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 17101923) is N-(4-methoxy-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(4-methoxy-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(4-methoxy-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is COc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methoxy-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is OKAQOQLDSIKYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-12(2)15-7-5-13(3)9-18(15)26-11-19(22)20-14-6-8-17(25-4)16(10-14)21(23)24/h5-10,12H,11H2,1-4H3,(H,20,22).
What are the key properties of N-(4-methoxy-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-(4-methoxy-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 358.39 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 17101923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).