2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide

C11H15N3O4 — CID 60641116

IUPAC2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCCNCC(=O)Nc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C11H15N3O4/c1-3-12-7-11(15)13-9-5-4-8(14(16)17)6-10(9)18-2/h4-6,12H,3,7H2,1-2H3,(H,13,15)
InChIKeyVBIULVNXDPCUDW-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.15
Rot. Bonds6

About 2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide

2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide (PubChem CID 60641116) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
PubChem CID60641116
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCCNCC(=O)Nc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C11H15N3O4/c1-3-12-7-11(15)13-9-5-4-8(14(16)17)6-10(9)18-2/h4-6,12H,3,7H2,1-2H3,(H,13,15)
InChIKeyVBIULVNXDPCUDW-UHFFFAOYSA-N
XLogP1.15
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-methoxy-4-nitrophenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 17066743
1-ethyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108890439
2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 30706268
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631
N-(2-methoxy-4-nitrophenyl)octadecanamide
CID 108745127
3-ethoxy-N-(2-methoxy-4-nitrophenyl)propanamide
CID 2975776
N-(2-methoxy-4-nitrophenyl)undecanamide
CID 4164516
N-(2-methoxy-4-nitrophenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide
CID 17066746
2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 134008031
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium
CID 9433030
N-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-1-yl)acetamide
CID 19516847
2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 4786705

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide?
The IUPAC name of 2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide (CID 60641116) is 2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide is CCNCC(=O)Nc1ccc([N+](=O)[O-])cc1OC.
What is the InChIKey of 2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide?
The InChIKey is VBIULVNXDPCUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-12-7-11(15)13-9-5-4-8(14(16)17)6-10(9)18-2/h4-6,12H,3,7H2,1-2H3,(H,13,15).
What are the key properties of 2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide?
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide has a molecular weight of 253.26 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide is sourced from PubChem (CID 60641116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).