2-hydroxy-N,N-dimethyl-2-(4-nitrophenyl)acetamide

C10H12N2O4 — CID 13332347

IUPAC2-hydroxy-N,N-dimethyl-2-(4-nitrophenyl)acetamide
SMILESCN(C)C(=O)C(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H12N2O4/c1-11(2)10(14)9(13)7-3-5-8(6-4-7)12(15)16/h3-6,9,13H,1-2H3
InChIKeyUBAWXRPZCWODTI-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.72
Rot. Bonds3

About 2-hydroxy-N,N-dimethyl-2-(4-nitrophenyl)acetamide

2-hydroxy-N,N-dimethyl-2-(4-nitrophenyl)acetamide (PubChem CID 13332347) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-hydroxy-N,N-dimethyl-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-hydroxy-N,N-dimethyl-2-(4-nitrophenyl)acetamide
PubChem CID13332347
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-hydroxy-N,N-dimethyl-2-(4-nitrophenyl)acetamide
SMILESCN(C)C(=O)C(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H12N2O4/c1-11(2)10(14)9(13)7-3-5-8(6-4-7)12(15)16/h3-6,9,13H,1-2H3
InChIKeyUBAWXRPZCWODTI-UHFFFAOYSA-N
XLogP0.72
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N-dimethyl-2-(4-nitrophenyl)acetamide?
The IUPAC name of 2-hydroxy-N,N-dimethyl-2-(4-nitrophenyl)acetamide (CID 13332347) is 2-hydroxy-N,N-dimethyl-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-hydroxy-N,N-dimethyl-2-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-hydroxy-N,N-dimethyl-2-(4-nitrophenyl)acetamide is CN(C)C(=O)C(O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-hydroxy-N,N-dimethyl-2-(4-nitrophenyl)acetamide?
The InChIKey is UBAWXRPZCWODTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-11(2)10(14)9(13)7-3-5-8(6-4-7)12(15)16/h3-6,9,13H,1-2H3.
What are the key properties of 2-hydroxy-N,N-dimethyl-2-(4-nitrophenyl)acetamide?
2-hydroxy-N,N-dimethyl-2-(4-nitrophenyl)acetamide has a molecular weight of 224.22 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-dimethyl-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 13332347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).