2-(2-aminoethoxy)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide

C12H26N2O3 — CID 79474034

IUPAC2-(2-aminoethoxy)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCOC)C(=O)COCCN
InChIInChI=1S/C12H26N2O3/c1-4-11(5-2)14(7-9-16-3)12(15)10-17-8-6-13/h11H,4-10,13H2,1-3H3
InChIKeyGEALKXQAQAOCAU-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.63
Rot. Bonds10

About 2-(2-aminoethoxy)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide

2-(2-aminoethoxy)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide (PubChem CID 79474034) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide
PubChem CID79474034
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-(2-aminoethoxy)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCOC)C(=O)COCCN
InChIInChI=1S/C12H26N2O3/c1-4-11(5-2)14(7-9-16-3)12(15)10-17-8-6-13/h11H,4-10,13H2,1-3H3
InChIKeyGEALKXQAQAOCAU-UHFFFAOYSA-N
XLogP0.63
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethoxy)-N-propan-2-yl-N-propylacetamide
CID 79479983
4-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbutanamide
CID 80542973
3-amino-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylpropanamide
CID 106112070
N-(2-methoxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924232
2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide
CID 62855963
2-(2-aminoethoxy)-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 79473856
2-[2-[2-hydroxyethyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid
CID 54993846
N-(2-methoxyethyl)-N-pentan-3-yl-4-(propan-2-ylamino)butanamide
CID 54871818
N-(2-methoxyethyl)-2-(4-methylphenyl)-N-pentan-3-ylacetamide
CID 86982114
3-(cyclopropylamino)-N-(2-methoxyethyl)-N-pentan-3-ylpropanamide
CID 54871842
N-(2-methoxyethyl)-2-[1-(methylamino)cyclohexyl]-N-pentan-3-ylacetamide
CID 65242111
2-ethoxy-N,N-bis(2-methoxyethyl)acetamide
CID 60636441

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide (CID 79474034) is 2-(2-aminoethoxy)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide is CCC(CC)N(CCOC)C(=O)COCCN.
What is the InChIKey of 2-(2-aminoethoxy)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide?
The InChIKey is GEALKXQAQAOCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-4-11(5-2)14(7-9-16-3)12(15)10-17-8-6-13/h11H,4-10,13H2,1-3H3.
What are the key properties of 2-(2-aminoethoxy)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide?
2-(2-aminoethoxy)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide has a molecular weight of 246.35 g/mol, XLogP of 0.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 79474034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).