2-(2-aminoethoxy)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide

C12H19N3O3 — CID 79479427

IUPAC2-(2-aminoethoxy)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide
SMILESCC(C)Oc1ncccc1NC(=O)COCCN
InChIInChI=1S/C12H19N3O3/c1-9(2)18-12-10(4-3-6-14-12)15-11(16)8-17-7-5-13/h3-4,6,9H,5,7-8,13H2,1-2H3,(H,15,16)
InChIKeyMKOSNZQZVBOTFX-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.78
Rot. Bonds7

About 2-(2-aminoethoxy)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide

2-(2-aminoethoxy)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide (PubChem CID 79479427) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide
PubChem CID79479427
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-(2-aminoethoxy)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide
SMILESCC(C)Oc1ncccc1NC(=O)COCCN
InChIInChI=1S/C12H19N3O3/c1-9(2)18-12-10(4-3-6-14-12)15-11(16)8-17-7-5-13/h3-4,6,9H,5,7-8,13H2,1-2H3,(H,15,16)
InChIKeyMKOSNZQZVBOTFX-UHFFFAOYSA-N
XLogP0.78
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethoxy)-N-(2-methyl-3-pyridinyl)acetamide
CID 79478921
4-amino-3-methoxy-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 103155628
4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid
CID 61379431
3-(ethylamino)-N-(2-propan-2-yloxy-3-pyridinyl)propanamide
CID 62834244
2-(aminomethyl)-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 65229294
2-(2-aminoethoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 79463489
4-(propan-2-ylamino)-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 61379540
2-(1-aminocyclohexyl)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide
CID 64677402
(2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 61379065
2-(2-aminoethoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 79474018
2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)pentanamide
CID 61379490
2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide
CID 61379626

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide (CID 79479427) is 2-(2-aminoethoxy)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide is CC(C)Oc1ncccc1NC(=O)COCCN.
What is the InChIKey of 2-(2-aminoethoxy)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide?
The InChIKey is MKOSNZQZVBOTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9(2)18-12-10(4-3-6-14-12)15-11(16)8-17-7-5-13/h3-4,6,9H,5,7-8,13H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-aminoethoxy)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide?
2-(2-aminoethoxy)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide has a molecular weight of 253.30 g/mol, XLogP of 0.78, 7 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-propan-2-yloxy-3-pyridinyl)acetamide is sourced from PubChem (CID 79479427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).