N-(1-phenacyloxyethyl)formamide

C11H13NO3 — CID 57086495

IUPACN-(1-phenacyloxyethyl)formamide
SMILESCC(NC=O)OCC(=O)c1ccccc1
InChIInChI=1S/C11H13NO3/c1-9(12-8-13)15-7-11(14)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,12,13)
InChIKeyVXGGTYRPZXFRKE-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.98
Rot. Bonds6

About N-(1-phenacyloxyethyl)formamide

N-(1-phenacyloxyethyl)formamide (PubChem CID 57086495) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(1-phenacyloxyethyl)formamide.

Molecular Properties

Compound NameN-(1-phenacyloxyethyl)formamide
PubChem CID57086495
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC NameN-(1-phenacyloxyethyl)formamide
SMILESCC(NC=O)OCC(=O)c1ccccc1
InChIInChI=1S/C11H13NO3/c1-9(12-8-13)15-7-11(14)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,12,13)
InChIKeyVXGGTYRPZXFRKE-UHFFFAOYSA-N
XLogP0.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-formamidoethyl benzoate
CID 175311780
N-[(2R)-1-oxo-1-phenylpropan-2-yl]formamide
CID 130699282
2-phenacyloxy-1-phenylethanone
CID 12781821
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
N-phenacyl-2-propan-2-yloxyacetamide
CID 112602781
2-(3,5-diethyl-2,2,6,6-tetramethylheptan-4-yl)oxy-1-phenylethanone
CID 70255237
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
2-(2-methylpentoxy)-1-phenylethanone
CID 103284390
dimethyl(phenacyloxymethylidene)azanium
CID 24795646
phenacyl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 695300

Frequently Asked Questions

What is the IUPAC name of N-(1-phenacyloxyethyl)formamide?
The IUPAC name of N-(1-phenacyloxyethyl)formamide (CID 57086495) is N-(1-phenacyloxyethyl)formamide.
What is the SMILES notation for N-(1-phenacyloxyethyl)formamide?
The canonical SMILES for N-(1-phenacyloxyethyl)formamide is CC(NC=O)OCC(=O)c1ccccc1.
What is the InChIKey of N-(1-phenacyloxyethyl)formamide?
The InChIKey is VXGGTYRPZXFRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-9(12-8-13)15-7-11(14)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,12,13).
What are the key properties of N-(1-phenacyloxyethyl)formamide?
N-(1-phenacyloxyethyl)formamide has a molecular weight of 207.23 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenacyloxyethyl)formamide is sourced from PubChem (CID 57086495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).