[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-propanoylphenoxy)acetate

C18H23NO6 — CID 9291487

IUPAC[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C18H23NO6/c1-2-16(20)13-5-7-14(8-6-13)24-12-18(22)25-11-17(21)19-10-15-4-3-9-23-15/h5-8,15H,2-4,9-12H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyGNUKDGRWNOYWFU-OAHLLOKOSA-N
MW349.38 g/mol
LogP1.50
Rot. Bonds9

About [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-propanoylphenoxy)acetate

[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-propanoylphenoxy)acetate (PubChem CID 9291487) has the molecular formula C18H23NO6 and a molecular weight of 349.38 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-propanoylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-propanoylphenoxy)acetate
PubChem CID9291487
Molecular FormulaC18H23NO6
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC Name[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C18H23NO6/c1-2-16(20)13-5-7-14(8-6-13)24-12-18(22)25-11-17(21)19-10-15-4-3-9-23-15/h5-8,15H,2-4,9-12H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyGNUKDGRWNOYWFU-OAHLLOKOSA-N
XLogP1.50
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-propanoylphenoxy)acetate with MolForge

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Related Compounds

[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(4-methoxyphenoxy)acetate
CID 8905770
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9404420
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884918
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(3-fluorophenoxy)acetate
CID 2369928
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-chlorophenoxy)acetate
CID 7803969
[2-(cyclohexylamino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855189
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate
CID 4129063
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide
CID 78774490
N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide
CID 78760578
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 4-ethylbenzoate
CID 2607157
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 16507910

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-propanoylphenoxy)acetate?
The IUPAC name of [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-propanoylphenoxy)acetate (CID 9291487) is [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-propanoylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-propanoylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-propanoylphenoxy)acetate is CCC(=O)c1ccc(OCC(=O)OCC(=O)NC[C@H]2CCCO2)cc1.
What is the InChIKey of [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-propanoylphenoxy)acetate?
The InChIKey is GNUKDGRWNOYWFU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23NO6/c1-2-16(20)13-5-7-14(8-6-13)24-12-18(22)25-11-17(21)19-10-15-4-3-9-23-15/h5-8,15H,2-4,9-12H2,1H3,(H,19,21)/t15-/m1/s1.
What are the key properties of [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-propanoylphenoxy)acetate?
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-propanoylphenoxy)acetate has a molecular weight of 349.38 g/mol, XLogP of 1.50, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-propanoylphenoxy)acetate is sourced from PubChem (CID 9291487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).