3-(2-methyl-5-nitrophenoxy)propanamide

C10H12N2O4 — CID 61059962

IUPAC3-(2-methyl-5-nitrophenoxy)propanamide
SMILESCc1ccc([N+](=O)[O-])cc1OCCC(N)=O
InChIInChI=1S/C10H12N2O4/c1-7-2-3-8(12(14)15)6-9(7)16-5-4-10(11)13/h2-3,6H,4-5H2,1H3,(H2,11,13)
InChIKeyQOYUNSCPEJCOIA-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.16
Rot. Bonds5

About 3-(2-methyl-5-nitrophenoxy)propanamide

3-(2-methyl-5-nitrophenoxy)propanamide (PubChem CID 61059962) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-(2-methyl-5-nitrophenoxy)propanamide.

Molecular Properties

Compound Name3-(2-methyl-5-nitrophenoxy)propanamide
PubChem CID61059962
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name3-(2-methyl-5-nitrophenoxy)propanamide
SMILESCc1ccc([N+](=O)[O-])cc1OCCC(N)=O
InChIInChI=1S/C10H12N2O4/c1-7-2-3-8(12(14)15)6-9(7)16-5-4-10(11)13/h2-3,6H,4-5H2,1H3,(H2,11,13)
InChIKeyQOYUNSCPEJCOIA-UHFFFAOYSA-N
XLogP1.16
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.16
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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Related Compounds

methyl 3-(2-methyl-5-nitrophenoxy)propanoate
CID 43520114
3-(2-methyl-5-nitrophenoxy)-1-phenylpropan-1-one
CID 116692074
3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide
CID 104890078
N'-hydroxy-5-(2-methyl-5-nitrophenoxy)pentanimidamide
CID 109374777
2-amino-4-(2-methyl-5-nitrophenoxy)butanoic acid
CID 63039221
2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine
CID 61386077
2-[2-(2-methyl-5-nitrophenoxy)ethoxy]ethanamine
CID 103482481
2-methyl-4-(2-methyl-5-nitrophenoxy)butan-2-ol
CID 79361061
4-(2-methyl-5-nitrophenoxy)butanenitrile
CID 61032333
1,2-bis(2-methoxyethoxy)-4-nitrobenzene;carbamic acid
CID 175523332
tert-butyl 3-(2-methyl-4-nitrophenoxy)propanoate
CID 116659270
2-(2-methyl-5-nitrophenoxy)acetonitrile
CID 60779222

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-5-nitrophenoxy)propanamide?
The IUPAC name of 3-(2-methyl-5-nitrophenoxy)propanamide (CID 61059962) is 3-(2-methyl-5-nitrophenoxy)propanamide.
What is the SMILES notation for 3-(2-methyl-5-nitrophenoxy)propanamide?
The canonical SMILES for 3-(2-methyl-5-nitrophenoxy)propanamide is Cc1ccc([N+](=O)[O-])cc1OCCC(N)=O.
What is the InChIKey of 3-(2-methyl-5-nitrophenoxy)propanamide?
The InChIKey is QOYUNSCPEJCOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-7-2-3-8(12(14)15)6-9(7)16-5-4-10(11)13/h2-3,6H,4-5H2,1H3,(H2,11,13).
What are the key properties of 3-(2-methyl-5-nitrophenoxy)propanamide?
3-(2-methyl-5-nitrophenoxy)propanamide has a molecular weight of 224.22 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-5-nitrophenoxy)propanamide is sourced from PubChem (CID 61059962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).