N-[2-[benzyl(2-methoxyethyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]acetamide

C15H18F6N2O2 — CID 134099282

IUPACN-[2-[benzyl(2-methoxyethyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]acetamide
SMILESCOCCN(Cc1ccccc1)C(NC(C)=O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H18F6N2O2/c1-11(24)22-13(14(16,17)18,15(19,20)21)23(8-9-25-2)10-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3,(H,22,24)
InChIKeyBNTRDLVSYNZXES-UHFFFAOYSA-N
MW372.31 g/mol
LogP3.09
Rot. Bonds7

About N-[2-[benzyl(2-methoxyethyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]acetamide

N-[2-[benzyl(2-methoxyethyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]acetamide (PubChem CID 134099282) has the molecular formula C15H18F6N2O2 and a molecular weight of 372.31 g/mol. Its IUPAC name is N-[2-[benzyl(2-methoxyethyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[benzyl(2-methoxyethyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]acetamide
PubChem CID134099282
Molecular FormulaC15H18F6N2O2
Molecular Weight372.31 g/mol
Exact Mass372.13
IUPAC NameN-[2-[benzyl(2-methoxyethyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]acetamide
SMILESCOCCN(Cc1ccccc1)C(NC(C)=O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H18F6N2O2/c1-11(24)22-13(14(16,17)18,15(19,20)21)23(8-9-25-2)10-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3,(H,22,24)
InChIKeyBNTRDLVSYNZXES-UHFFFAOYSA-N
XLogP3.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353
2-N-benzyl-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine
CID 130979555
2-[benzyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 17415318
N-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide
CID 103515233
N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)acetamide
CID 3658518
N-benzyl-2-methoxy-N-trimethylsilylethanamine
CID 68644763
N-benzyl-N-(2-methoxyethyl)-2-(2-methoxyethylamino)acetamide
CID 78914153
N-benzyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 134028338
2-(2-acetamidophenoxy)-N-benzyl-N-(2-methoxyethyl)acetamide
CID 9017946
3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 52906852
N-benzyl-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 78781458
N-benzyl-4-hydroxy-N-(2-methoxyethyl)butanamide
CID 79205106

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(2-methoxyethyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]acetamide?
The IUPAC name of N-[2-[benzyl(2-methoxyethyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]acetamide (CID 134099282) is N-[2-[benzyl(2-methoxyethyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]acetamide.
What is the SMILES notation for N-[2-[benzyl(2-methoxyethyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]acetamide?
The canonical SMILES for N-[2-[benzyl(2-methoxyethyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]acetamide is COCCN(Cc1ccccc1)C(NC(C)=O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[2-[benzyl(2-methoxyethyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]acetamide?
The InChIKey is BNTRDLVSYNZXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F6N2O2/c1-11(24)22-13(14(16,17)18,15(19,20)21)23(8-9-25-2)10-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3,(H,22,24).
What are the key properties of N-[2-[benzyl(2-methoxyethyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]acetamide?
N-[2-[benzyl(2-methoxyethyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]acetamide has a molecular weight of 372.31 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(2-methoxyethyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]acetamide is sourced from PubChem (CID 134099282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).