2-[2-(2-amino-3-methylanilino)ethoxy]acetamide

C11H17N3O2 — CID 106234418

IUPAC2-[2-(2-amino-3-methylanilino)ethoxy]acetamide
SMILESCc1cccc(NCCOCC(N)=O)c1N
InChIInChI=1S/C11H17N3O2/c1-8-3-2-4-9(11(8)13)14-5-6-16-7-10(12)15/h2-4,14H,5-7,13H2,1H3,(H2,12,15)
InChIKeyXPBWGMUZUUMGCK-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.49
Rot. Bonds6

About 2-[2-(2-amino-3-methylanilino)ethoxy]acetamide

2-[2-(2-amino-3-methylanilino)ethoxy]acetamide (PubChem CID 106234418) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[2-(2-amino-3-methylanilino)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(2-amino-3-methylanilino)ethoxy]acetamide
PubChem CID106234418
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[2-(2-amino-3-methylanilino)ethoxy]acetamide
SMILESCc1cccc(NCCOCC(N)=O)c1N
InChIInChI=1S/C11H17N3O2/c1-8-3-2-4-9(11(8)13)14-5-6-16-7-10(12)15/h2-4,14H,5-7,13H2,1H3,(H2,12,15)
InChIKeyXPBWGMUZUUMGCK-UHFFFAOYSA-N
XLogP0.49
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-amino-3-fluoroanilino)ethoxy]acetamide
CID 106234436
2-[2-(2-sulfamoylanilino)ethoxy]acetamide
CID 114162595
2-[2-(4-amino-2-chloroanilino)ethoxy]acetamide
CID 106234293
1-N-[4-(2-methoxyethoxy)butyl]-3-methylbenzene-1,2-diamine
CID 114041355
3-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide
CID 114041350
2-[2-[2-(difluoromethylsulfonyl)anilino]ethoxy]acetamide
CID 106239402
2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide
CID 106239415
N-[2-(2-amino-3-methylanilino)ethyl]cyclopropanecarboxamide
CID 114041356
2-[2-(3-bromo-2-cyanoanilino)ethoxy]acetamide
CID 106236951
2-[2-[[6-(propylamino)-2-pyridinyl]amino]ethoxy]acetamide
CID 106241754
2-[2-(2-cyano-3-ethylsulfanylanilino)ethoxy]acetamide
CID 106236970
ethyl 4-amino-3-[2-(2-amino-2-oxoethoxy)ethylamino]benzoate
CID 106240841

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-3-methylanilino)ethoxy]acetamide?
The IUPAC name of 2-[2-(2-amino-3-methylanilino)ethoxy]acetamide (CID 106234418) is 2-[2-(2-amino-3-methylanilino)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(2-amino-3-methylanilino)ethoxy]acetamide?
The canonical SMILES for 2-[2-(2-amino-3-methylanilino)ethoxy]acetamide is Cc1cccc(NCCOCC(N)=O)c1N.
What is the InChIKey of 2-[2-(2-amino-3-methylanilino)ethoxy]acetamide?
The InChIKey is XPBWGMUZUUMGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-3-2-4-9(11(8)13)14-5-6-16-7-10(12)15/h2-4,14H,5-7,13H2,1H3,(H2,12,15).
What are the key properties of 2-[2-(2-amino-3-methylanilino)ethoxy]acetamide?
2-[2-(2-amino-3-methylanilino)ethoxy]acetamide has a molecular weight of 223.28 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-3-methylanilino)ethoxy]acetamide is sourced from PubChem (CID 106234418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).