[3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropyl] acetate

C16H22N2O4 — CID 141073730

IUPAC[3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropyl] acetate
SMILESCCNC(=O)C(COC(C)=O)(C(=O)NCC)c1ccccc1
InChIInChI=1S/C16H22N2O4/c1-4-17-14(20)16(11-22-12(3)19,15(21)18-5-2)13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyMOOXNOBJVAJASS-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.76
Rot. Bonds7

About [3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropyl] acetate

[3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropyl] acetate (PubChem CID 141073730) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is [3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropyl] acetate.

Molecular Properties

Compound Name[3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropyl] acetate
PubChem CID141073730
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name[3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropyl] acetate
SMILESCCNC(=O)C(COC(C)=O)(C(=O)NCC)c1ccccc1
InChIInChI=1S/C16H22N2O4/c1-4-17-14(20)16(11-22-12(3)19,15(21)18-5-2)13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyMOOXNOBJVAJASS-UHFFFAOYSA-N
XLogP0.76
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-hydroxy-4-oxo-2-phenylpentanamide
CID 162412364
[3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropyl] 2-[4-(N-benzoyl-2-hydroxyanilino)phenyl]acetate
CID 91149784
aluminum;(2-methyl-2-phenylpropyl) acetate;trichloride
CID 68741763
[carbamoyloxy(diphenyl)methyl] N-ethylcarbamate
CID 164942360
2-phenylpropan-2-yl carbamate;propane
CID 175117543
4-amino-N-ethyl-2,3-dimethyl-2-phenylbutanamide;methanol
CID 143150724
[4-[2-[3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropoxy]-2-oxoethyl]phenyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 23641410
[(E,2R)-2-hydroxy-2-phenylhex-4-enyl] acetate
CID 10933409
ethyl 2-acetyl-4-oxo-2-phenylpentanoate
CID 68562528
2-amino-N-ethyl-2-phenoxypropanamide
CID 174406190
(2-hydroxy-2-phenyl-2-thiophen-3-ylethyl) acetate
CID 174712289
tert-butyl N-[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl]carbamate
CID 102563275

Frequently Asked Questions

What is the IUPAC name of [3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropyl] acetate?
The IUPAC name of [3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropyl] acetate (CID 141073730) is [3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropyl] acetate.
What is the SMILES notation for [3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropyl] acetate?
The canonical SMILES for [3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropyl] acetate is CCNC(=O)C(COC(C)=O)(C(=O)NCC)c1ccccc1.
What is the InChIKey of [3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropyl] acetate?
The InChIKey is MOOXNOBJVAJASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-4-17-14(20)16(11-22-12(3)19,15(21)18-5-2)13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of [3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropyl] acetate?
[3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropyl] acetate has a molecular weight of 306.36 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropyl] acetate is sourced from PubChem (CID 141073730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).