2-(2-methoxyethylamino)-N-[(2-methyl-3-nitrophenyl)methyl]acetamide

C13H19N3O4 — CID 103109333

IUPAC2-(2-methoxyethylamino)-N-[(2-methyl-3-nitrophenyl)methyl]acetamide
SMILESCOCCNCC(=O)NCc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C13H19N3O4/c1-10-11(4-3-5-12(10)16(18)19)8-15-13(17)9-14-6-7-20-2/h3-5,14H,6-9H2,1-2H3,(H,15,17)
InChIKeyLAIUTHRUDBWLHV-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.76
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-[(2-methyl-3-nitrophenyl)methyl]acetamide

2-(2-methoxyethylamino)-N-[(2-methyl-3-nitrophenyl)methyl]acetamide (PubChem CID 103109333) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[(2-methyl-3-nitrophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[(2-methyl-3-nitrophenyl)methyl]acetamide
PubChem CID103109333
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-(2-methoxyethylamino)-N-[(2-methyl-3-nitrophenyl)methyl]acetamide
SMILESCOCCNCC(=O)NCc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C13H19N3O4/c1-10-11(4-3-5-12(10)16(18)19)8-15-13(17)9-14-6-7-20-2/h3-5,14H,6-9H2,1-2H3,(H,15,17)
InChIKeyLAIUTHRUDBWLHV-UHFFFAOYSA-N
XLogP0.76
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.76
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-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide
CID 119802905
2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
CID 119802904
N-[(2-methyl-3-nitrophenyl)methyl]acetamide
CID 103113652
2-amino-4-methoxy-N-[(2-methyl-3-nitrophenyl)methyl]butanamide
CID 103109301
2-(2-methoxyethylamino)-N-(naphthalen-1-ylmethyl)acetamide;hydrochloride
CID 119709577
2-[(2-methyl-3-nitrophenyl)methylamino]ethylurea
CID 83113507
N-[(2-methyl-3-nitrophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 103114868
5-hydroxy-N-[(2-methyl-3-nitrophenyl)methyl]pentanamide
CID 103113657
2-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 43591038
N-[(2-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673533
N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 22170308
N-[(2-methyl-3-nitrophenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 103109430

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[(2-methyl-3-nitrophenyl)methyl]acetamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-[(2-methyl-3-nitrophenyl)methyl]acetamide (CID 103109333) is 2-(2-methoxyethylamino)-N-[(2-methyl-3-nitrophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[(2-methyl-3-nitrophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[(2-methyl-3-nitrophenyl)methyl]acetamide is COCCNCC(=O)NCc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[(2-methyl-3-nitrophenyl)methyl]acetamide?
The InChIKey is LAIUTHRUDBWLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-10-11(4-3-5-12(10)16(18)19)8-15-13(17)9-14-6-7-20-2/h3-5,14H,6-9H2,1-2H3,(H,15,17).
What are the key properties of 2-(2-methoxyethylamino)-N-[(2-methyl-3-nitrophenyl)methyl]acetamide?
2-(2-methoxyethylamino)-N-[(2-methyl-3-nitrophenyl)methyl]acetamide has a molecular weight of 281.31 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[(2-methyl-3-nitrophenyl)methyl]acetamide is sourced from PubChem (CID 103109333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).