2-(2-nitrophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide

C19H22N2O4 — CID 7916925

IUPAC2-(2-nitrophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCC(C)c1ccc(CCNC(=O)COc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H22N2O4/c1-14(2)16-9-7-15(8-10-16)11-12-20-19(22)13-25-18-6-4-3-5-17(18)21(23)24/h3-10,14H,11-13H2,1-2H3,(H,20,22)
InChIKeySZCJUEDXURHTRQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.46
Rot. Bonds8

About 2-(2-nitrophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide

2-(2-nitrophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide (PubChem CID 7916925) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
PubChem CID7916925
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-(2-nitrophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCC(C)c1ccc(CCNC(=O)COc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H22N2O4/c1-14(2)16-9-7-15(8-10-16)11-12-20-19(22)13-25-18-6-4-3-5-17(18)21(23)24/h3-10,14H,11-13H2,1-2H3,(H,20,22)
InChIKeySZCJUEDXURHTRQ-UHFFFAOYSA-N
XLogP3.46
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.46
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

[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(2-nitrophenyl)acetate
CID 9344257
N-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 134023288
N-(4-hydroxypentyl)-2-(2-nitrophenoxy)acetamide
CID 107299515
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-methyl-6-nitrobenzoate
CID 33354743
2-(2-nitrophenoxy)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide
CID 7571540
N-(4-hydroxybutyl)-2-(2-nitrophenoxy)acetamide
CID 106843022
N-[(2R)-2-(ethylamino)propyl]-2-(2-nitrophenoxy)acetamide;hydrochloride
CID 120653870
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-nitrophenoxy)acetamide
CID 115700067
N-(2-hydroxy-4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 103771047
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500657
[2-[2-[[2-[2-(2-nitrophenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 16540047

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide (CID 7916925) is 2-(2-nitrophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide is CC(C)c1ccc(CCNC(=O)COc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-(2-nitrophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The InChIKey is SZCJUEDXURHTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14(2)16-9-7-15(8-10-16)11-12-20-19(22)13-25-18-6-4-3-5-17(18)21(23)24/h3-10,14H,11-13H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-nitrophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
2-(2-nitrophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 7916925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).