2-(2-nitrophenoxy)-N-[4-(1-phenylethylamino)phenyl]acetamide

C22H21N3O4 — CID 55986783

IUPAC2-(2-nitrophenoxy)-N-[4-(1-phenylethylamino)phenyl]acetamide
SMILESCC(Nc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C22H21N3O4/c1-16(17-7-3-2-4-8-17)23-18-11-13-19(14-12-18)24-22(26)15-29-21-10-6-5-9-20(21)25(27)28/h2-14,16,23H,15H2,1H3,(H,24,26)
InChIKeyIADOSYUVCRWJBH-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.79
Rot. Bonds8

About 2-(2-nitrophenoxy)-N-[4-(1-phenylethylamino)phenyl]acetamide

2-(2-nitrophenoxy)-N-[4-(1-phenylethylamino)phenyl]acetamide (PubChem CID 55986783) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-[4-(1-phenylethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-[4-(1-phenylethylamino)phenyl]acetamide
PubChem CID55986783
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name2-(2-nitrophenoxy)-N-[4-(1-phenylethylamino)phenyl]acetamide
SMILESCC(Nc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C22H21N3O4/c1-16(17-7-3-2-4-8-17)23-18-11-13-19(14-12-18)24-22(26)15-29-21-10-6-5-9-20(21)25(27)28/h2-14,16,23H,15H2,1H3,(H,24,26)
InChIKeyIADOSYUVCRWJBH-UHFFFAOYSA-N
XLogP4.79
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.79
H-Bond Donors ≤ 52
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-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887
N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
CID 717260
N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 717206
3-methylbutyl 4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 19169490
2-nitro-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55986151
ethyl 4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 717216
2-(2-nitrophenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 7720091
N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500616
methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]propanoate
CID 60637868
4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218797
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 7719046
N-(4-hydroxybutan-2-yl)-2-(2-nitrophenoxy)acetamide
CID 115283580

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-[4-(1-phenylethylamino)phenyl]acetamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-[4-(1-phenylethylamino)phenyl]acetamide (CID 55986783) is 2-(2-nitrophenoxy)-N-[4-(1-phenylethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-[4-(1-phenylethylamino)phenyl]acetamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-[4-(1-phenylethylamino)phenyl]acetamide is CC(Nc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of 2-(2-nitrophenoxy)-N-[4-(1-phenylethylamino)phenyl]acetamide?
The InChIKey is IADOSYUVCRWJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-16(17-7-3-2-4-8-17)23-18-11-13-19(14-12-18)24-22(26)15-29-21-10-6-5-9-20(21)25(27)28/h2-14,16,23H,15H2,1H3,(H,24,26).
What are the key properties of 2-(2-nitrophenoxy)-N-[4-(1-phenylethylamino)phenyl]acetamide?
2-(2-nitrophenoxy)-N-[4-(1-phenylethylamino)phenyl]acetamide has a molecular weight of 391.43 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-[4-(1-phenylethylamino)phenyl]acetamide is sourced from PubChem (CID 55986783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).