N-(2,2,2-triethoxy-1-phenylethyl)acetamide

C16H25NO4 — CID 10968440

IUPACN-(2,2,2-triethoxy-1-phenylethyl)acetamide
SMILESCCOC(OCC)(OCC)C(NC(C)=O)c1ccccc1
InChIInChI=1S/C16H25NO4/c1-5-19-16(20-6-2,21-7-3)15(17-13(4)18)14-11-9-8-10-12-14/h8-12,15H,5-7H2,1-4H3,(H,17,18)
InChIKeyIIWSYEIACDYXEH-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.63
Rot. Bonds9

About N-(2,2,2-triethoxy-1-phenylethyl)acetamide

N-(2,2,2-triethoxy-1-phenylethyl)acetamide (PubChem CID 10968440) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(2,2,2-triethoxy-1-phenylethyl)acetamide.

Molecular Properties

Compound NameN-(2,2,2-triethoxy-1-phenylethyl)acetamide
PubChem CID10968440
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC NameN-(2,2,2-triethoxy-1-phenylethyl)acetamide
SMILESCCOC(OCC)(OCC)C(NC(C)=O)c1ccccc1
InChIInChI=1S/C16H25NO4/c1-5-19-16(20-6-2,21-7-3)15(17-13(4)18)14-11-9-8-10-12-14/h8-12,15H,5-7H2,1-4H3,(H,17,18)
InChIKeyIIWSYEIACDYXEH-UHFFFAOYSA-N
XLogP2.63
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-acetamido-4-phenylbutanoate
CID 132511328
ethyl (2S,3S)-3-acetamido-2-methyl-3-phenylpropanoate
CID 70863317
2-ethoxy-2-methyl-3,3-diphenylpropanoic acid
CID 115590588
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
3-acetamido-N,N-diethyl-3-phenylpropanamide
CID 78777211
N-[(1R)-1-phenylbut-3-enyl]acetamide
CID 40521523
butyl (2R)-2-acetamido-2-phenylacetate
CID 11096964
CID 57067406
CID 57067406
N-(2-diethylphosphanyl-1-phenylethyl)acetamide
CID 175089746
N-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]acetamide
CID 67575764
ethyl N-(2,2-dibromo-2-nitro-1-phenylethyl)carbamate
CID 56651777
methyl 2-acetamido-4-ethyl-3-phenylhexanoate
CID 85321757

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-triethoxy-1-phenylethyl)acetamide?
The IUPAC name of N-(2,2,2-triethoxy-1-phenylethyl)acetamide (CID 10968440) is N-(2,2,2-triethoxy-1-phenylethyl)acetamide.
What is the SMILES notation for N-(2,2,2-triethoxy-1-phenylethyl)acetamide?
The canonical SMILES for N-(2,2,2-triethoxy-1-phenylethyl)acetamide is CCOC(OCC)(OCC)C(NC(C)=O)c1ccccc1.
What is the InChIKey of N-(2,2,2-triethoxy-1-phenylethyl)acetamide?
The InChIKey is IIWSYEIACDYXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-5-19-16(20-6-2,21-7-3)15(17-13(4)18)14-11-9-8-10-12-14/h8-12,15H,5-7H2,1-4H3,(H,17,18).
What are the key properties of N-(2,2,2-triethoxy-1-phenylethyl)acetamide?
N-(2,2,2-triethoxy-1-phenylethyl)acetamide has a molecular weight of 295.38 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-triethoxy-1-phenylethyl)acetamide is sourced from PubChem (CID 10968440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).