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

C17H16N2O5 — CID 9395370

IUPACN-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H16N2O5/c1-2-16(20)12-3-9-15(10-4-12)24-11-17(21)18-13-5-7-14(8-6-13)19(22)23/h3-10H,2,11H2,1H3,(H,18,21)
InChIKeyGVXJHYQUTFLSDQ-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.20
Rot. Bonds7

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

N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide (PubChem CID 9395370) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
PubChem CID9395370
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC NameN-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H16N2O5/c1-2-16(20)12-3-9-15(10-4-12)24-11-17(21)18-13-5-7-14(8-6-13)19(22)23/h3-10H,2,11H2,1H3,(H,18,21)
InChIKeyGVXJHYQUTFLSDQ-UHFFFAOYSA-N
XLogP3.20
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.20
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

N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide
CID 10646566
propyl 4-[[2-(4-nitrophenoxy)acetyl]amino]benzoate
CID 4501659
N-(4-ethoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2542308
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 1295054
N-[4-(diethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 1013330
[4-[2-(4-nitrophenoxy)acetyl]phenyl]urea
CID 32580686
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 8961201
N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide
CID 11981942
2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 4930992

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide (CID 9395370) is N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide?
The InChIKey is GVXJHYQUTFLSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-2-16(20)12-3-9-15(10-4-12)24-11-17(21)18-13-5-7-14(8-6-13)19(22)23/h3-10H,2,11H2,1H3,(H,18,21).
What are the key properties of N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide?
N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide has a molecular weight of 328.32 g/mol, XLogP of 3.20, 7 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-propanoylphenoxy)acetamide is sourced from PubChem (CID 9395370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).