N-phenacyl-2-propan-2-yloxyacetamide

C13H17NO3 — CID 112602781

IUPACN-phenacyl-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCC(=O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-10(2)17-9-13(16)14-8-12(15)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16)
InChIKeyVKAITSRRTXSIEO-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.41
Rot. Bonds6

About N-phenacyl-2-propan-2-yloxyacetamide

N-phenacyl-2-propan-2-yloxyacetamide (PubChem CID 112602781) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-phenacyl-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-phenacyl-2-propan-2-yloxyacetamide
PubChem CID112602781
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-phenacyl-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCC(=O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-10(2)17-9-13(16)14-8-12(15)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16)
InChIKeyVKAITSRRTXSIEO-UHFFFAOYSA-N
XLogP1.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-phenacylpentanamide
CID 114874845
N-[(2-ethylphenyl)methyl]-2-propan-2-yloxyacetamide
CID 112692670
N-(2-amino-2-phenylethyl)-2-propan-2-yloxyacetamide;hydrochloride
CID 119529017
3-ethoxy-N-phenacylpropanamide
CID 64991407
methyl 2-[(2-propan-2-yloxyacetyl)amino]acetate
CID 112686620
(2S)-2-[[hydroxy(phenylmethoxy)methyl]amino]-N-phenacylpropanamide
CID 70863313
2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 112686778
N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide
CID 47413238
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(2-methylphenoxy)acetamide
CID 110661711
N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide
CID 112686889
2,2-dimethyl-N-phenacylbutanamide
CID 64991408
N-(2-iodophenyl)-2-propan-2-yloxyacetamide
CID 47416512

Frequently Asked Questions

What is the IUPAC name of N-phenacyl-2-propan-2-yloxyacetamide?
The IUPAC name of N-phenacyl-2-propan-2-yloxyacetamide (CID 112602781) is N-phenacyl-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-phenacyl-2-propan-2-yloxyacetamide?
The canonical SMILES for N-phenacyl-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NCC(=O)c1ccccc1.
What is the InChIKey of N-phenacyl-2-propan-2-yloxyacetamide?
The InChIKey is VKAITSRRTXSIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(2)17-9-13(16)14-8-12(15)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16).
What are the key properties of N-phenacyl-2-propan-2-yloxyacetamide?
N-phenacyl-2-propan-2-yloxyacetamide has a molecular weight of 235.28 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenacyl-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112602781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).