[2-oxo-2-(propan-2-ylamino)ethyl] 2-(phenoxymethyl)benzoate

C19H21NO4 — CID 7949334

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 2-(phenoxymethyl)benzoate
SMILESCC(C)NC(=O)COC(=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C19H21NO4/c1-14(2)20-18(21)13-24-19(22)17-11-7-6-8-15(17)12-23-16-9-4-3-5-10-16/h3-11,14H,12-13H2,1-2H3,(H,20,21)
InChIKeyXEZNKGCSCQRELS-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.95
Rot. Bonds7

About [2-oxo-2-(propan-2-ylamino)ethyl] 2-(phenoxymethyl)benzoate

[2-oxo-2-(propan-2-ylamino)ethyl] 2-(phenoxymethyl)benzoate (PubChem CID 7949334) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 2-(phenoxymethyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-(phenoxymethyl)benzoate
PubChem CID7949334
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-(phenoxymethyl)benzoate
SMILESCC(C)NC(=O)COC(=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C19H21NO4/c1-14(2)20-18(21)13-24-19(22)17-11-7-6-8-15(17)12-23-16-9-4-3-5-10-16/h3-11,14H,12-13H2,1-2H3,(H,20,21)
InChIKeyXEZNKGCSCQRELS-UHFFFAOYSA-N
XLogP2.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate
CID 7949384
ethyl 2-(phenoxymethyl)benzoate
CID 14674220
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7949391
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
[2-(2-chloroanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7653462
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 18105543
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7949403
[2-oxo-2-(propan-2-ylamino)ethyl] 2-bromobenzoate
CID 2416256
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7653271
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7949326
[2-(1-adamantylamino)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7653449
[2-(3-methylsulfanylanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7653570

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(phenoxymethyl)benzoate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(phenoxymethyl)benzoate (CID 7949334) is [2-oxo-2-(propan-2-ylamino)ethyl] 2-(phenoxymethyl)benzoate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(phenoxymethyl)benzoate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(phenoxymethyl)benzoate is CC(C)NC(=O)COC(=O)c1ccccc1COc1ccccc1.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(phenoxymethyl)benzoate?
The InChIKey is XEZNKGCSCQRELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-14(2)20-18(21)13-24-19(22)17-11-7-6-8-15(17)12-23-16-9-4-3-5-10-16/h3-11,14H,12-13H2,1-2H3,(H,20,21).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(phenoxymethyl)benzoate?
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(phenoxymethyl)benzoate has a molecular weight of 327.38 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(phenoxymethyl)benzoate is sourced from PubChem (CID 7949334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).