N-[(2S)-1-hydroxypropan-2-yl]-2-(3-nitrophenyl)acetamide

C11H14N2O4 — CID 103820765

IUPACN-[(2S)-1-hydroxypropan-2-yl]-2-(3-nitrophenyl)acetamide
SMILESC[C@@H](CO)NC(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H14N2O4/c1-8(7-14)12-11(15)6-9-3-2-4-10(5-9)13(16)17/h2-5,8,14H,6-7H2,1H3,(H,12,15)/t8-/m0/s1
InChIKeyOFMMKAMZTBSQAF-QMMMGPOBSA-N
MW238.24 g/mol
LogP0.63
Rot. Bonds5

About N-[(2S)-1-hydroxypropan-2-yl]-2-(3-nitrophenyl)acetamide

N-[(2S)-1-hydroxypropan-2-yl]-2-(3-nitrophenyl)acetamide (PubChem CID 103820765) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-2-(3-nitrophenyl)acetamide
PubChem CID103820765
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-2-(3-nitrophenyl)acetamide
SMILESC[C@@H](CO)NC(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H14N2O4/c1-8(7-14)12-11(15)6-9-3-2-4-10(5-9)13(16)17/h2-5,8,14H,6-7H2,1H3,(H,12,15)/t8-/m0/s1
InChIKeyOFMMKAMZTBSQAF-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

N-(1-hydroxypropan-2-yl)-3-nitrobenzamide
CID 18712222
2-[[2-(3-nitrophenyl)acetyl]amino]pentanoic acid
CID 115923925
2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419046
N-[(2S)-1-aminopropan-2-yl]-3-(3-nitrophenyl)propanamide
CID 120505135
sodium 2-(3-nitrophenyl)acetate
CID 20571503
N-[1-hydroxy-3-(3-nitrophenyl)propan-2-yl]acetamide
CID 22747826
N-(1-hydroxypropan-2-yl)-2-(2-nitrophenyl)acetamide
CID 43418816
2-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 47450411
3-methyl-2-[[[2-(3-nitrophenyl)acetyl]amino]methyl]butanoic acid
CID 104540991
(E)-N-(1-hydroxypropan-2-yl)-3-(3-nitrophenyl)prop-2-enamide
CID 43419229
N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 43418851
2-(3-nitrophenyl)-N-prop-2-ynylacetamide
CID 115649182

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-2-(3-nitrophenyl)acetamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-2-(3-nitrophenyl)acetamide (CID 103820765) is N-[(2S)-1-hydroxypropan-2-yl]-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-2-(3-nitrophenyl)acetamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-2-(3-nitrophenyl)acetamide is C[C@@H](CO)NC(=O)Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-2-(3-nitrophenyl)acetamide?
The InChIKey is OFMMKAMZTBSQAF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-8(7-14)12-11(15)6-9-3-2-4-10(5-9)13(16)17/h2-5,8,14H,6-7H2,1H3,(H,12,15)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-2-(3-nitrophenyl)acetamide?
N-[(2S)-1-hydroxypropan-2-yl]-2-(3-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)-1-hydroxypropan-2-yl]-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 103820765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).