2-[benzyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)propanamide

C15H24N2O3 — CID 60685211

IUPAC2-[benzyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N(CCO)Cc1ccccc1
InChIInChI=1S/C15H24N2O3/c1-13(15(19)16-8-11-20-2)17(9-10-18)12-14-6-4-3-5-7-14/h3-7,13,18H,8-12H2,1-2H3,(H,16,19)
InChIKeyRPPLJWUOMNRHSG-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.63
Rot. Bonds9

About 2-[benzyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)propanamide

2-[benzyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)propanamide (PubChem CID 60685211) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[benzyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[benzyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)propanamide
PubChem CID60685211
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[benzyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N(CCO)Cc1ccccc1
InChIInChI=1S/C15H24N2O3/c1-13(15(19)16-8-11-20-2)17(9-10-18)12-14-6-4-3-5-7-14/h3-7,13,18H,8-12H2,1-2H3,(H,16,19)
InChIKeyRPPLJWUOMNRHSG-UHFFFAOYSA-N
XLogP0.63
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl(2-hydroxyethyl)amino]-N-ethylpropanamide
CID 60685142
2-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 62115110
ethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate
CID 62116345
2-[benzyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide
CID 60684942
2-[benzyl(2-hydroxyethyl)amino]-N-ethyl-2-methoxyacetamide
CID 67629600
2-[2-aminoethyl(benzyl)amino]-N-ethylpropanamide
CID 54903541
(2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide
CID 141196582
4-[[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-methylamino]methyl]benzoic acid
CID 60978071
2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(2-methoxyethyl)propanamide
CID 114243601
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109082370
2-[benzyl-(2-phenylacetyl)amino]-N-(2-hydroxyethyl)propanamide
CID 133148954

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)propanamide (CID 60685211) is 2-[benzyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[benzyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[benzyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)N(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is RPPLJWUOMNRHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-13(15(19)16-8-11-20-2)17(9-10-18)12-14-6-4-3-5-7-14/h3-7,13,18H,8-12H2,1-2H3,(H,16,19).
What are the key properties of 2-[benzyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)propanamide?
2-[benzyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 280.37 g/mol, XLogP of 0.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 60685211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).