N-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide

C21H18N2O4 — CID 41161693

IUPACN-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O4/c24-21(16-27-20-13-11-19(12-14-20)23(25)26)22(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14H,15-16H2
InChIKeyPIJZENHHYNBJND-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.21
Rot. Bonds7

About N-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide

N-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide (PubChem CID 41161693) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide
PubChem CID41161693
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC NameN-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O4/c24-21(16-27-20-13-11-19(12-14-20)23(25)26)22(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14H,15-16H2
InChIKeyPIJZENHHYNBJND-UHFFFAOYSA-N
XLogP4.21
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
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-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770411
N-benzyl-2-[benzyl(methyl)amino]-N-(4-nitrophenyl)acetamide
CID 23507484
1-(4-nitrophenoxy)-3-phenylpropan-2-one
CID 61031518
3-O-[2-(N-benzylanilino)-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate
CID 41198475
N-benzyl-N-(4-nitrophenyl)-4-oxohexanamide
CID 19863365
2-(4-nitrophenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 9012034
N'-[2-(4-nitrophenoxy)acetyl]-2-phenylacetohydrazide
CID 922307
N-benzyl-2-(3-methylphenoxy)-N-phenylacetamide
CID 112977258
2-(1,3-benzodioxol-5-yloxy)-N-benzyl-N-phenylacetamide
CID 112978300
2-methyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]propanoic acid
CID 62817383
2-(4-nitrophenoxy)-N-phenylmethoxyacetamide
CID 41248168
N-benzyl-2-(4-nitropyrazol-1-yl)-N-phenylacetamide
CID 2982830

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide?
The IUPAC name of N-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide (CID 41161693) is N-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide is O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide?
The InChIKey is PIJZENHHYNBJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c24-21(16-27-20-13-11-19(12-14-20)23(25)26)22(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14H,15-16H2.
What are the key properties of N-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide?
N-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide has a molecular weight of 362.39 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide is sourced from PubChem (CID 41161693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).