2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide

C22H20N2O5 — CID 4947557

IUPAC2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H20N2O5/c1-16(29-21-10-6-5-9-20(21)24(26)27)22(25)23-18-11-13-19(14-12-18)28-15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,23,25)
InChIKeyZKTOEGQTUCYJFM-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.58
Rot. Bonds8

About 2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide

2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 4947557) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID4947557
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H20N2O5/c1-16(29-21-10-6-5-9-20(21)24(26)27)22(25)23-18-11-13-19(14-12-18)28-15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,23,25)
InChIKeyZKTOEGQTUCYJFM-UHFFFAOYSA-N
XLogP4.58
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.58
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-(2-nitrophenoxy)-N-(4-propoxyphenyl)propanamide
CID 4943938
N'-[2-(2-nitrophenoxy)propanoyl]-4-phenylmethoxybenzohydrazide
CID 4944324
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
(2R)-N-(4-phenylmethoxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 92681869
(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide
CID 7503574
(2R)-N-(4-fluorophenyl)-2-(2-nitrophenoxy)propanamide
CID 7503743
N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide
CID 17235413
N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943658
(2R)-N-(4-iodophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205324
2-(2-nitrophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 4943654
(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 9233741
(2S)-2-(2,5-dichlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7185213

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide (CID 4947557) is 2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide is CC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is ZKTOEGQTUCYJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-16(29-21-10-6-5-9-20(21)24(26)27)22(25)23-18-11-13-19(14-12-18)28-15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,23,25).
What are the key properties of 2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide?
2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 392.41 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 4947557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).