2-(2-aminoethoxy)-N-methyl-N-(pyridin-4-ylmethyl)acetamide

C11H17N3O2 — CID 79473191

IUPAC2-(2-aminoethoxy)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
SMILESCN(Cc1ccncc1)C(=O)COCCN
InChIInChI=1S/C11H17N3O2/c1-14(11(15)9-16-7-4-12)8-10-2-5-13-6-3-10/h2-3,5-6H,4,7-9,12H2,1H3
InChIKeyUSRPJWIMXKJHHZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.02
Rot. Bonds6

About 2-(2-aminoethoxy)-N-methyl-N-(pyridin-4-ylmethyl)acetamide

2-(2-aminoethoxy)-N-methyl-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 79473191) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-methyl-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
PubChem CID79473191
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(2-aminoethoxy)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
SMILESCN(Cc1ccncc1)C(=O)COCCN
InChIInChI=1S/C11H17N3O2/c1-14(11(15)9-16-7-4-12)8-10-2-5-13-6-3-10/h2-3,5-6H,4,7-9,12H2,1H3
InChIKeyUSRPJWIMXKJHHZ-UHFFFAOYSA-N
XLogP0.02
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.02
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-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 79463095
2-(2-aminoethoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 79474111
2-(2-aminoethoxy)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 79473671
2-(2-aminoethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 79473063
2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113228898
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 43564524
N-[(4-ethylphenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide
CID 103601799
N-methyl-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 110724771
3-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 81070672
2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463348
1-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 80587212
2-amino-4-[methyl(pyridin-4-ylmethyl)amino]-4-oxobutanoic acid
CID 115181125

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-methyl-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-methyl-N-(pyridin-4-ylmethyl)acetamide (CID 79473191) is 2-(2-aminoethoxy)-N-methyl-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-methyl-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-methyl-N-(pyridin-4-ylmethyl)acetamide is CN(Cc1ccncc1)C(=O)COCCN.
What is the InChIKey of 2-(2-aminoethoxy)-N-methyl-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is USRPJWIMXKJHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14(11(15)9-16-7-4-12)8-10-2-5-13-6-3-10/h2-3,5-6H,4,7-9,12H2,1H3.
What are the key properties of 2-(2-aminoethoxy)-N-methyl-N-(pyridin-4-ylmethyl)acetamide?
2-(2-aminoethoxy)-N-methyl-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 223.28 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-methyl-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 79473191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).