propyl 2-(2-acetyloxyphenyl)-2-(propanoylamino)acetate

C16H21NO5 — CID 10149618

IUPACpropyl 2-(2-acetyloxyphenyl)-2-(propanoylamino)acetate
SMILESCCCOC(=O)C(NC(=O)CC)c1ccccc1OC(C)=O
InChIInChI=1S/C16H21NO5/c1-4-10-21-16(20)15(17-14(19)5-2)12-8-6-7-9-13(12)22-11(3)18/h6-9,15H,4-5,10H2,1-3H3,(H,17,19)
InChIKeyOFQYLRJXRPIPPM-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.13
Rot. Bonds7

About propyl 2-(2-acetyloxyphenyl)-2-(propanoylamino)acetate

propyl 2-(2-acetyloxyphenyl)-2-(propanoylamino)acetate (PubChem CID 10149618) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is propyl 2-(2-acetyloxyphenyl)-2-(propanoylamino)acetate.

Molecular Properties

Compound Namepropyl 2-(2-acetyloxyphenyl)-2-(propanoylamino)acetate
PubChem CID10149618
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Namepropyl 2-(2-acetyloxyphenyl)-2-(propanoylamino)acetate
SMILESCCCOC(=O)C(NC(=O)CC)c1ccccc1OC(C)=O
InChIInChI=1S/C16H21NO5/c1-4-10-21-16(20)15(17-14(19)5-2)12-8-6-7-9-13(12)22-11(3)18/h6-9,15H,4-5,10H2,1-3H3,(H,17,19)
InChIKeyOFQYLRJXRPIPPM-UHFFFAOYSA-N
XLogP2.13
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

propyl (2S)-2-bromo-2-(2-methylphenyl)acetate
CID 101158902
ethyl 2-(butan-2-ylamino)-2-(2-ethoxyphenyl)acetate
CID 61026398
(2-ethoxycarbonyloxyphenyl) propyl carbonate
CID 171768245
N-[1-(2-aminophenyl)ethyl]propanamide
CID 43297760
ethyl 2-acetyloxybenzoate;hydrochloride
CID 168984732
[1-[(butanoylamino)-(2-methoxyphenyl)methyl]naphthalen-2-yl] acetate
CID 3129265
ethyl 2-(butan-2-ylamino)-2-[2-(difluoromethoxy)phenyl]acetate
CID 61023653
[2-[[2-acetyloxy-3-[bis(2-acetyloxyphenyl)methyl]phenyl]-(2-acetyloxyphenyl)methyl]phenyl] acetate
CID 59317424
N-[cyano-(2-methoxyphenyl)methyl]propanamide
CID 56687193
propyl 2-(2-acetylphenoxy)propanoate
CID 82312026
(2-acetyloxyphenyl) 2-propylhexanoate
CID 90025375
butyl (2R)-2-acetamido-2-phenylacetate
CID 11096964

Frequently Asked Questions

What is the IUPAC name of propyl 2-(2-acetyloxyphenyl)-2-(propanoylamino)acetate?
The IUPAC name of propyl 2-(2-acetyloxyphenyl)-2-(propanoylamino)acetate (CID 10149618) is propyl 2-(2-acetyloxyphenyl)-2-(propanoylamino)acetate.
What is the SMILES notation for propyl 2-(2-acetyloxyphenyl)-2-(propanoylamino)acetate?
The canonical SMILES for propyl 2-(2-acetyloxyphenyl)-2-(propanoylamino)acetate is CCCOC(=O)C(NC(=O)CC)c1ccccc1OC(C)=O.
What is the InChIKey of propyl 2-(2-acetyloxyphenyl)-2-(propanoylamino)acetate?
The InChIKey is OFQYLRJXRPIPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-4-10-21-16(20)15(17-14(19)5-2)12-8-6-7-9-13(12)22-11(3)18/h6-9,15H,4-5,10H2,1-3H3,(H,17,19).
What are the key properties of propyl 2-(2-acetyloxyphenyl)-2-(propanoylamino)acetate?
propyl 2-(2-acetyloxyphenyl)-2-(propanoylamino)acetate has a molecular weight of 307.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(2-acetyloxyphenyl)-2-(propanoylamino)acetate is sourced from PubChem (CID 10149618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).