[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] naphthalene-1-carboxylate

C18H19NO4 — CID 3938542

IUPAC[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] naphthalene-1-carboxylate
SMILESO=C(COC(=O)c1cccc2ccccc12)NCC1CCCO1
InChIInChI=1S/C18H19NO4/c20-17(19-11-14-7-4-10-22-14)12-23-18(21)16-9-3-6-13-5-1-2-8-15(13)16/h1-3,5-6,8-9,14H,4,7,10-12H2,(H,19,20)
InChIKeyOJGPOOZUVHATRS-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.29
Rot. Bonds5

About [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] naphthalene-1-carboxylate

[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] naphthalene-1-carboxylate (PubChem CID 3938542) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] naphthalene-1-carboxylate
PubChem CID3938542
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] naphthalene-1-carboxylate
SMILESO=C(COC(=O)c1cccc2ccccc12)NCC1CCCO1
InChIInChI=1S/C18H19NO4/c20-17(19-11-14-7-4-10-22-14)12-23-18(21)16-9-3-6-13-5-1-2-8-15(13)16/h1-3,5-6,8-9,14H,4,7,10-12H2,(H,19,20)
InChIKeyOJGPOOZUVHATRS-UHFFFAOYSA-N
XLogP2.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 2715809
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CID 3947743
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CID 4121931
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CID 4550282
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CID 4802847
CID 4802847
CID 4875432
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CID 44143092
CID 44143092
CID 4017767
CID 4017767
CID 145960612
CID 145960612
CID 5058973
CID 5058973
CID 2097080
CID 2097080
CID 2128886
CID 2128886

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] naphthalene-1-carboxylate?
The IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] naphthalene-1-carboxylate (CID 3938542) is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] naphthalene-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] naphthalene-1-carboxylate?
The canonical SMILES for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] naphthalene-1-carboxylate is O=C(COC(=O)c1cccc2ccccc12)NCC1CCCO1.
What is the InChIKey of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] naphthalene-1-carboxylate?
The InChIKey is OJGPOOZUVHATRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c20-17(19-11-14-7-4-10-22-14)12-23-18(21)16-9-3-6-13-5-1-2-8-15(13)16/h1-3,5-6,8-9,14H,4,7,10-12H2,(H,19,20).
What are the key properties of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] naphthalene-1-carboxylate?
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] naphthalene-1-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] naphthalene-1-carboxylate is sourced from PubChem (CID 3938542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).