2-[benzyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide

C14H22N2O2 — CID 60684942

IUPAC2-[benzyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)N(CCO)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-12(14(18)15(2)3)16(9-10-17)11-13-7-5-4-6-8-13/h4-8,12,17H,9-11H2,1-3H3
InChIKeyRQGAQJLYYMJZIX-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.96
Rot. Bonds6

About 2-[benzyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide

2-[benzyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide (PubChem CID 60684942) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[benzyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[benzyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide
PubChem CID60684942
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[benzyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)N(CCO)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-12(14(18)15(2)3)16(9-10-17)11-13-7-5-4-6-8-13/h4-8,12,17H,9-11H2,1-3H3
InChIKeyRQGAQJLYYMJZIX-UHFFFAOYSA-N
XLogP0.96
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 62115110
ethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate
CID 62116345
2-[benzyl(2-hydroxyethyl)amino]-N-ethylpropanamide
CID 60685142
2-[benzyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)propanamide
CID 60685211
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
2-[1-aminopropan-2-yl(benzyl)amino]ethanol
CID 62116860
(2S)-2-[benzyl(2-chloroethyl)amino]propanoic acid
CID 54043437
2-[(2-amino-1-phenylpropyl)-benzylamino]ethanol
CID 62116164
2-[3-aminopropyl(benzyl)amino]-N,N-diethylpropanamide
CID 107367320
(2R)-2-(dibenzylamino)pentan-3-one
CID 11219765
N-benzyl-N-propan-2-ylacetamide
CID 23534449
1-[2-hydroxyethyl(propan-2-yl)amino]-3-phenylpropan-2-one
CID 62030901

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide (CID 60684942) is 2-[benzyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[benzyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[benzyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide is CC(C(=O)N(C)C)N(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide?
The InChIKey is RQGAQJLYYMJZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12(14(18)15(2)3)16(9-10-17)11-13-7-5-4-6-8-13/h4-8,12,17H,9-11H2,1-3H3.
What are the key properties of 2-[benzyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide?
2-[benzyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 60684942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).