N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide

C19H20N2O6 — CID 8961201

IUPACN-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H20N2O6/c1-2-17(22)13-5-9-16(10-6-13)27-12-19(24)20-11-18(23)14-3-7-15(8-4-14)21(25)26/h3-10,18,23H,2,11-12H2,1H3,(H,20,24)/t18-/m0/s1
InChIKeyHWXBBDDAHORKRI-SFHVURJKSA-N
MW372.38 g/mol
LogP2.42
Rot. Bonds9

About N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide

N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide (PubChem CID 8961201) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
PubChem CID8961201
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC NameN-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H20N2O6/c1-2-17(22)13-5-9-16(10-6-13)27-12-19(24)20-11-18(23)14-3-7-15(8-4-14)21(25)26/h3-10,18,23H,2,11-12H2,1H3,(H,20,24)/t18-/m0/s1
InChIKeyHWXBBDDAHORKRI-SFHVURJKSA-N
XLogP2.42
TPSA118.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 9395370
2-methyl-3-[[2-(4-nitrophenoxy)acetyl]amino]propanoic acid
CID 62675493
N-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide
CID 41161668
2-(2,3-dimethylphenoxy)-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]acetamide
CID 40819511
N-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide
CID 120828053
N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502703
N-(3-hydroxypentyl)-2-(4-nitrophenoxy)acetamide
CID 115703818
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
2-(4-nitrophenoxy)-1-(4-propylphenyl)ethanone
CID 52888465
[(1S)-1-(4-ethylphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]ethyl]-dimethylazanium
CID 8796515
N-(2-acetamidoethyl)-2-(4-nitrophenoxy)acetamide
CID 41161661
2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 110279770

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide (CID 8961201) is N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide?
The InChIKey is HWXBBDDAHORKRI-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-2-17(22)13-5-9-16(10-6-13)27-12-19(24)20-11-18(23)14-3-7-15(8-4-14)21(25)26/h3-10,18,23H,2,11-12H2,1H3,(H,20,24)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide?
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide has a molecular weight of 372.38 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 8961201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).