[2-oxo-2-(propan-2-ylamino)ethyl] 3-methoxy-4-phenylmethoxybenzoate

C20H23NO5 — CID 55306280

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 3-methoxy-4-phenylmethoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)NC(C)C)ccc1OCc1ccccc1
InChIInChI=1S/C20H23NO5/c1-14(2)21-19(22)13-26-20(23)16-9-10-17(18(11-16)24-3)25-12-15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3,(H,21,22)
InChIKeyUPJUAULFXXWMER-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.96
Rot. Bonds8

About [2-oxo-2-(propan-2-ylamino)ethyl] 3-methoxy-4-phenylmethoxybenzoate

[2-oxo-2-(propan-2-ylamino)ethyl] 3-methoxy-4-phenylmethoxybenzoate (PubChem CID 55306280) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 3-methoxy-4-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 3-methoxy-4-phenylmethoxybenzoate
PubChem CID55306280
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 3-methoxy-4-phenylmethoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)NC(C)C)ccc1OCc1ccccc1
InChIInChI=1S/C20H23NO5/c1-14(2)21-19(22)13-26-20(23)16-9-10-17(18(11-16)24-3)25-12-15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3,(H,21,22)
InChIKeyUPJUAULFXXWMER-UHFFFAOYSA-N
XLogP2.96
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate
CID 7196850
(2-oxo-2-propan-2-yloxyethyl) 3-methoxy-4-phenylmethoxybenzoate
CID 55441877
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 3-methoxy-4-phenylmethoxybenzoate
CID 40960600
[2-(2,6-diethylanilino)-2-oxoethyl] 3-methoxy-4-phenylmethoxybenzoate
CID 42964839
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-methoxy-4-phenylmethoxybenzoate
CID 42964833
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate
CID 16501550
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-methoxy-4-phenylmethoxybenzoate
CID 26829936
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
butan-2-yl 3-methoxy-4-phenylmethoxybenzoate
CID 82186247
prop-2-ynyl 3-methoxy-4-phenylmethoxybenzoate
CID 91681830
dimethyl (2R,3S)-2,3-bis(3-methoxy-4-phenylmethoxybenzoyl)butanedioate
CID 11050415
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 7196740

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 3-methoxy-4-phenylmethoxybenzoate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 3-methoxy-4-phenylmethoxybenzoate (CID 55306280) is [2-oxo-2-(propan-2-ylamino)ethyl] 3-methoxy-4-phenylmethoxybenzoate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 3-methoxy-4-phenylmethoxybenzoate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 3-methoxy-4-phenylmethoxybenzoate is COc1cc(C(=O)OCC(=O)NC(C)C)ccc1OCc1ccccc1.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 3-methoxy-4-phenylmethoxybenzoate?
The InChIKey is UPJUAULFXXWMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-14(2)21-19(22)13-26-20(23)16-9-10-17(18(11-16)24-3)25-12-15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3,(H,21,22).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 3-methoxy-4-phenylmethoxybenzoate?
[2-oxo-2-(propan-2-ylamino)ethyl] 3-methoxy-4-phenylmethoxybenzoate has a molecular weight of 357.41 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 3-methoxy-4-phenylmethoxybenzoate is sourced from PubChem (CID 55306280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).