2-(2-aminoethoxy)-N-(2,4-dimethyl-5-nitrophenyl)acetamide

C12H17N3O4 — CID 104757812

IUPAC2-(2-aminoethoxy)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC(=O)COCCN
InChIInChI=1S/C12H17N3O4/c1-8-5-9(2)11(15(17)18)6-10(8)14-12(16)7-19-4-3-13/h5-6H,3-4,7,13H2,1-2H3,(H,14,16)
InChIKeyOULPAFACEYVQOK-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.13
Rot. Bonds6

About 2-(2-aminoethoxy)-N-(2,4-dimethyl-5-nitrophenyl)acetamide

2-(2-aminoethoxy)-N-(2,4-dimethyl-5-nitrophenyl)acetamide (PubChem CID 104757812) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(2,4-dimethyl-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
PubChem CID104757812
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name2-(2-aminoethoxy)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC(=O)COCCN
InChIInChI=1S/C12H17N3O4/c1-8-5-9(2)11(15(17)18)6-10(8)14-12(16)7-19-4-3-13/h5-6H,3-4,7,13H2,1-2H3,(H,14,16)
InChIKeyOULPAFACEYVQOK-UHFFFAOYSA-N
XLogP1.13
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.13
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

2-(2-aminoethoxy)-N-(2-bromo-4-methyl-5-nitrophenyl)acetamide
CID 104815312
2-amino-N-[2-(2,4-dimethyl-5-nitroanilino)-2-oxoethyl]acetamide
CID 104757722
2-(2-aminoethoxy)-N-(4-hydroxy-2-nitrophenyl)acetamide
CID 79473716
5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide
CID 104757782
3-amino-N-(2,4-dimethyl-5-nitrophenyl)butanamide
CID 113449732
5-bromo-N-(2,4-dimethyl-5-nitrophenyl)pentanamide
CID 103601694
2-(tert-butylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 115572266
2-(2-aminoethoxy)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 79464169
2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 115572270
2-(2-aminoethoxy)-N-(3-chloro-4-nitrophenyl)acetamide
CID 82864620
2-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethoxy]acetic acid
CID 60708232
5-(aminomethyl)-N-(2,4-dimethyl-5-nitrophenyl)furan-2-carboxamide
CID 104757744

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(2,4-dimethyl-5-nitrophenyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(2,4-dimethyl-5-nitrophenyl)acetamide (CID 104757812) is 2-(2-aminoethoxy)-N-(2,4-dimethyl-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(2,4-dimethyl-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(2,4-dimethyl-5-nitrophenyl)acetamide is Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)COCCN.
What is the InChIKey of 2-(2-aminoethoxy)-N-(2,4-dimethyl-5-nitrophenyl)acetamide?
The InChIKey is OULPAFACEYVQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8-5-9(2)11(15(17)18)6-10(8)14-12(16)7-19-4-3-13/h5-6H,3-4,7,13H2,1-2H3,(H,14,16).
What are the key properties of 2-(2-aminoethoxy)-N-(2,4-dimethyl-5-nitrophenyl)acetamide?
2-(2-aminoethoxy)-N-(2,4-dimethyl-5-nitrophenyl)acetamide has a molecular weight of 267.29 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(2,4-dimethyl-5-nitrophenyl)acetamide is sourced from PubChem (CID 104757812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).