N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide

C21H18N2O5 — CID 3114321

IUPACN-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H18N2O5/c24-21(22-17-6-8-18(9-7-17)23(25)26)15-28-20-12-10-19(11-13-20)27-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,22,24)
InChIKeyZOJHNWMPYCTBJR-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.19
Rot. Bonds8

About N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide

N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide (PubChem CID 3114321) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
PubChem CID3114321
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC NameN-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H18N2O5/c24-21(22-17-6-8-18(9-7-17)23(25)26)15-28-20-12-10-19(11-13-20)27-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,22,24)
InChIKeyZOJHNWMPYCTBJR-UHFFFAOYSA-N
XLogP4.19
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.19
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-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea
CID 2956271
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-benzyl-4-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 28639887
N'-[2-(4-nitrophenoxy)acetyl]-2-phenylacetohydrazide
CID 922307
2-(4-nitrophenoxy)-N-phenylmethoxyacetamide
CID 41248168
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 1363218
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide
CID 10646566
N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide
CID 895335
2-(4-nitrophenoxy)-N'-phenylacetohydrazide
CID 739659

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide?
The IUPAC name of N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide (CID 3114321) is N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide.
What is the SMILES notation for N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide?
The canonical SMILES for N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide is O=C(COc1ccc(OCc2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide?
The InChIKey is ZOJHNWMPYCTBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c24-21(22-17-6-8-18(9-7-17)23(25)26)15-28-20-12-10-19(11-13-20)27-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,22,24).
What are the key properties of N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide?
N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide has a molecular weight of 378.38 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide is sourced from PubChem (CID 3114321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).