2-[(4-methyl-3-nitrophenyl)methylamino]oxyacetamide

C10H13N3O4 — CID 112673285

IUPAC2-[(4-methyl-3-nitrophenyl)methylamino]oxyacetamide
SMILESCc1ccc(CNOCC(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O4/c1-7-2-3-8(4-9(7)13(15)16)5-12-17-6-10(11)14/h2-4,12H,5-6H2,1H3,(H2,11,14)
InChIKeyWOSCTAYJEIGMIE-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.41
Rot. Bonds6

About 2-[(4-methyl-3-nitrophenyl)methylamino]oxyacetamide

2-[(4-methyl-3-nitrophenyl)methylamino]oxyacetamide (PubChem CID 112673285) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[(4-methyl-3-nitrophenyl)methylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(4-methyl-3-nitrophenyl)methylamino]oxyacetamide
PubChem CID112673285
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-[(4-methyl-3-nitrophenyl)methylamino]oxyacetamide
SMILESCc1ccc(CNOCC(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O4/c1-7-2-3-8(4-9(7)13(15)16)5-12-17-6-10(11)14/h2-4,12H,5-6H2,1H3,(H2,11,14)
InChIKeyWOSCTAYJEIGMIE-UHFFFAOYSA-N
XLogP0.41
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-methyl-3-nitrophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720069
4-[(4-methyl-3-nitrophenyl)methylamino]benzamide
CID 43760410
2-[(4-methyl-3-nitrophenyl)methylamino]acetic acid
CID 43774185
methyl (2S)-3-methyl-2-[(4-methyl-3-nitrophenyl)methylamino]butanoate
CID 43776089
(4-methyl-3-nitrophenyl)methanamine
CID 18468134
2-[(2,4-difluoro-5-nitrophenyl)methylamino]oxyacetamide
CID 112672828
3-(2-methoxyethoxy)-N-[(4-methyl-3-nitrophenyl)methyl]propan-1-amine
CID 43225542
2-[(2,5-dimethylphenyl)methylamino]oxyacetamide
CID 112672460
N'-[(4-methyl-3-nitrophenyl)methyl]butane-1,4-diamine
CID 60895806
2-methyl-N-[(4-methyl-3-nitrophenyl)methyl]prop-2-en-1-amine
CID 114615877
4-(2-methoxyethoxy)-N-[(4-methyl-3-nitrophenyl)methyl]butan-1-amine
CID 115600167
5-[(4-methyl-3-nitrophenyl)methylamino]pentan-1-ol
CID 107303000

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-3-nitrophenyl)methylamino]oxyacetamide?
The IUPAC name of 2-[(4-methyl-3-nitrophenyl)methylamino]oxyacetamide (CID 112673285) is 2-[(4-methyl-3-nitrophenyl)methylamino]oxyacetamide.
What is the SMILES notation for 2-[(4-methyl-3-nitrophenyl)methylamino]oxyacetamide?
The canonical SMILES for 2-[(4-methyl-3-nitrophenyl)methylamino]oxyacetamide is Cc1ccc(CNOCC(N)=O)cc1[N+](=O)[O-].
What is the InChIKey of 2-[(4-methyl-3-nitrophenyl)methylamino]oxyacetamide?
The InChIKey is WOSCTAYJEIGMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-7-2-3-8(4-9(7)13(15)16)5-12-17-6-10(11)14/h2-4,12H,5-6H2,1H3,(H2,11,14).
What are the key properties of 2-[(4-methyl-3-nitrophenyl)methylamino]oxyacetamide?
2-[(4-methyl-3-nitrophenyl)methylamino]oxyacetamide has a molecular weight of 239.23 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-3-nitrophenyl)methylamino]oxyacetamide is sourced from PubChem (CID 112673285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).