[1-(2-methylanilino)-1-oxopropan-2-yl] oxolane-2-carboxylate

C15H19NO4 — CID 42903463

IUPAC[1-(2-methylanilino)-1-oxopropan-2-yl] oxolane-2-carboxylate
SMILESCc1ccccc1NC(=O)C(C)OC(=O)C1CCCO1
InChIInChI=1S/C15H19NO4/c1-10-6-3-4-7-12(10)16-14(17)11(2)20-15(18)13-8-5-9-19-13/h3-4,6-7,11,13H,5,8-9H2,1-2H3,(H,16,17)
InChIKeyPPPULTGEPHBKDT-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.04
Rot. Bonds4

About [1-(2-methylanilino)-1-oxopropan-2-yl] oxolane-2-carboxylate

[1-(2-methylanilino)-1-oxopropan-2-yl] oxolane-2-carboxylate (PubChem CID 42903463) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [1-(2-methylanilino)-1-oxopropan-2-yl] oxolane-2-carboxylate.

Molecular Properties

Compound Name[1-(2-methylanilino)-1-oxopropan-2-yl] oxolane-2-carboxylate
PubChem CID42903463
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[1-(2-methylanilino)-1-oxopropan-2-yl] oxolane-2-carboxylate
SMILESCc1ccccc1NC(=O)C(C)OC(=O)C1CCCO1
InChIInChI=1S/C15H19NO4/c1-10-6-3-4-7-12(10)16-14(17)11(2)20-15(18)13-8-5-9-19-13/h3-4,6-7,11,13H,5,8-9H2,1-2H3,(H,16,17)
InChIKeyPPPULTGEPHBKDT-UHFFFAOYSA-N
XLogP2.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylanilino)-1-oxopropan-2-yl] oxolane-2-carboxylate?
The IUPAC name of [1-(2-methylanilino)-1-oxopropan-2-yl] oxolane-2-carboxylate (CID 42903463) is [1-(2-methylanilino)-1-oxopropan-2-yl] oxolane-2-carboxylate.
What is the SMILES notation for [1-(2-methylanilino)-1-oxopropan-2-yl] oxolane-2-carboxylate?
The canonical SMILES for [1-(2-methylanilino)-1-oxopropan-2-yl] oxolane-2-carboxylate is Cc1ccccc1NC(=O)C(C)OC(=O)C1CCCO1.
What is the InChIKey of [1-(2-methylanilino)-1-oxopropan-2-yl] oxolane-2-carboxylate?
The InChIKey is PPPULTGEPHBKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-6-3-4-7-12(10)16-14(17)11(2)20-15(18)13-8-5-9-19-13/h3-4,6-7,11,13H,5,8-9H2,1-2H3,(H,16,17).
What are the key properties of [1-(2-methylanilino)-1-oxopropan-2-yl] oxolane-2-carboxylate?
[1-(2-methylanilino)-1-oxopropan-2-yl] oxolane-2-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylanilino)-1-oxopropan-2-yl] oxolane-2-carboxylate is sourced from PubChem (CID 42903463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).