N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide

C11H14N2O4 — CID 83030865

IUPACN-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide
SMILESC[C@H](O)CNC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O4/c1-8(14)7-12-11(15)6-9-4-2-3-5-10(9)13(16)17/h2-5,8,14H,6-7H2,1H3,(H,12,15)/t8-/m0/s1
InChIKeyGLQALUWTVYFKPQ-QMMMGPOBSA-N
MW238.24 g/mol
LogP0.63
Rot. Bonds5

About N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide

N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide (PubChem CID 83030865) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide
PubChem CID83030865
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC NameN-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide
SMILESC[C@H](O)CNC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O4/c1-8(14)7-12-11(15)6-9-4-2-3-5-10(9)13(16)17/h2-5,8,14H,6-7H2,1H3,(H,12,15)/t8-/m0/s1
InChIKeyGLQALUWTVYFKPQ-QMMMGPOBSA-N
XLogP0.63
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(2R)-1-[(2-nitrophenyl)methylamino]propan-2-ol
CID 93033289
2-hydroxy-3-[[2-(2-nitrophenyl)acetyl]amino]propanamide
CID 107261265
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-nitrophenyl)acetamide
CID 27230247
N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 65110200
N-(1-hydroxypropan-2-yl)-2-(2-nitrophenyl)acetamide
CID 43418816
N-[3-(dimethylamino)propyl]-2-(2-nitrophenyl)acetamide
CID 3387628
2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 874422
N-(2-hydroxypropylcarbamothioyl)-2-nitrobenzamide
CID 17161921
2-(2-nitrophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 92672267
N-[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-(2-nitrophenyl)acetamide
CID 51941754
2-(2-nitrophenyl)-N-pentan-3-ylacetamide
CID 884922
(2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide
CID 78979257

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide (CID 83030865) is N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide is C[C@H](O)CNC(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is GLQALUWTVYFKPQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-8(14)7-12-11(15)6-9-4-2-3-5-10(9)13(16)17/h2-5,8,14H,6-7H2,1H3,(H,12,15)/t8-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide?
N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 238.24 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 83030865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).