[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate

C16H21NO6 — CID 23910544

IUPAC[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OCC(=O)NCC1CCCO1
InChIInChI=1S/C16H21NO6/c1-20-12-6-3-7-13(21-2)15(12)16(19)23-10-14(18)17-9-11-5-4-8-22-11/h3,6-7,11H,4-5,8-10H2,1-2H3,(H,17,18)
InChIKeyKNCUDZAAXDLPSQ-UHFFFAOYSA-N
MW323.34 g/mol
LogP1.16
Rot. Bonds7

About [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate

[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate (PubChem CID 23910544) has the molecular formula C16H21NO6 and a molecular weight of 323.34 g/mol. Its IUPAC name is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate
PubChem CID23910544
Molecular FormulaC16H21NO6
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OCC(=O)NCC1CCCO1
InChIInChI=1S/C16H21NO6/c1-20-12-6-3-7-13(21-2)15(12)16(19)23-10-14(18)17-9-11-5-4-8-22-11/h3,6-7,11H,4-5,8-10H2,1-2H3,(H,17,18)
InChIKeyKNCUDZAAXDLPSQ-UHFFFAOYSA-N
XLogP1.16
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate with MolForge

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Related Compounds

[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3,4-dimethoxybenzoate
CID 8011905
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate
CID 4129063
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2,3,6-trichlorobenzoate
CID 2362130
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 4-ethylbenzoate
CID 2607157
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2499672
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 4874973
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 6223654
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] naphthalene-1-carboxylate
CID 2436180
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8703402
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-chlorobenzoate
CID 2362816
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2,3-dichlorobenzoate
CID 2487426
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] pyridine-4-carboxylate
CID 7783951

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate?
The IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate (CID 23910544) is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate.
What is the SMILES notation for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate?
The canonical SMILES for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate is COc1cccc(OC)c1C(=O)OCC(=O)NCC1CCCO1.
What is the InChIKey of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate?
The InChIKey is KNCUDZAAXDLPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO6/c1-20-12-6-3-7-13(21-2)15(12)16(19)23-10-14(18)17-9-11-5-4-8-22-11/h3,6-7,11H,4-5,8-10H2,1-2H3,(H,17,18).
What are the key properties of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate?
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate has a molecular weight of 323.34 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate is sourced from PubChem (CID 23910544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).