N-[1-hydroxy-3-(3-nitrophenyl)propan-2-yl]acetamide

C11H14N2O4 — CID 22747826

IUPACN-[1-hydroxy-3-(3-nitrophenyl)propan-2-yl]acetamide
SMILESCC(=O)NC(CO)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H14N2O4/c1-8(15)12-10(7-14)5-9-3-2-4-11(6-9)13(16)17/h2-4,6,10,14H,5,7H2,1H3,(H,12,15)
InChIKeyXSIXARHQTVUMIS-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.63
Rot. Bonds5

About N-[1-hydroxy-3-(3-nitrophenyl)propan-2-yl]acetamide

N-[1-hydroxy-3-(3-nitrophenyl)propan-2-yl]acetamide (PubChem CID 22747826) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is N-[1-hydroxy-3-(3-nitrophenyl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-hydroxy-3-(3-nitrophenyl)propan-2-yl]acetamide
PubChem CID22747826
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC NameN-[1-hydroxy-3-(3-nitrophenyl)propan-2-yl]acetamide
SMILESCC(=O)NC(CO)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H14N2O4/c1-8(15)12-10(7-14)5-9-3-2-4-11(6-9)13(16)17/h2-4,6,10,14H,5,7H2,1H3,(H,12,15)
InChIKeyXSIXARHQTVUMIS-UHFFFAOYSA-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

N-[(2S)-1-hydroxypropan-2-yl]-2-(3-nitrophenyl)acetamide
CID 103820765
3-(3-nitrophenyl)-2-sulfanylpropan-1-ol
CID 175196457
1-(1-hydroxy-4-methylpentan-2-yl)-3-[(3-nitrophenyl)methyl]urea
CID 75383545
1-(3-nitrophenyl)propan-2-amine;hydrochloride
CID 22461228
1-amino-2-(3-nitrophenyl)ethanol
CID 67570704
ethyl 2-chloro-3-(3-nitrophenyl)propanoate
CID 4162177
2-acetamido-3-[(3-nitrophenyl)methylsulfinyl]propanoic acid
CID 107768625
1-chloro-2-(3-nitrophenyl)ethanamine;hydrochloride
CID 70459689
1-[2-(1-chloroethyl)-3-methylbutyl]-3-nitrobenzene
CID 63471502
2-acetamido-4-(3-nitrophenyl)-4-oxobutanoic acid
CID 11747938
methyl 2-formamido-3-(3-nitrophenyl)propanoate
CID 23458865
S-[(3-nitrophenyl)methyl] ethanethioate
CID 58531936

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-3-(3-nitrophenyl)propan-2-yl]acetamide?
The IUPAC name of N-[1-hydroxy-3-(3-nitrophenyl)propan-2-yl]acetamide (CID 22747826) is N-[1-hydroxy-3-(3-nitrophenyl)propan-2-yl]acetamide.
What is the SMILES notation for N-[1-hydroxy-3-(3-nitrophenyl)propan-2-yl]acetamide?
The canonical SMILES for N-[1-hydroxy-3-(3-nitrophenyl)propan-2-yl]acetamide is CC(=O)NC(CO)Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[1-hydroxy-3-(3-nitrophenyl)propan-2-yl]acetamide?
The InChIKey is XSIXARHQTVUMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-8(15)12-10(7-14)5-9-3-2-4-11(6-9)13(16)17/h2-4,6,10,14H,5,7H2,1H3,(H,12,15).
What are the key properties of N-[1-hydroxy-3-(3-nitrophenyl)propan-2-yl]acetamide?
N-[1-hydroxy-3-(3-nitrophenyl)propan-2-yl]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-[1-hydroxy-3-(3-nitrophenyl)propan-2-yl]acetamide is sourced from PubChem (CID 22747826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).