[1-(tert-butylamino)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate

C18H21NO4 — CID 24520578

IUPAC[1-(tert-butylamino)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate
SMILESCC(OC(=O)c1occc1-c1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C18H21NO4/c1-12(16(20)19-18(2,3)4)23-17(21)15-14(10-11-22-15)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,19,20)
InChIKeySAPOGECECPRNSY-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.41
Rot. Bonds4

About [1-(tert-butylamino)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate

[1-(tert-butylamino)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate (PubChem CID 24520578) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is [1-(tert-butylamino)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate.

Molecular Properties

Compound Name[1-(tert-butylamino)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate
PubChem CID24520578
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name[1-(tert-butylamino)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate
SMILESCC(OC(=O)c1occc1-c1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C18H21NO4/c1-12(16(20)19-18(2,3)4)23-17(21)15-14(10-11-22-15)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,19,20)
InChIKeySAPOGECECPRNSY-UHFFFAOYSA-N
XLogP3.41
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(tert-butylamino)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate?
The IUPAC name of [1-(tert-butylamino)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate (CID 24520578) is [1-(tert-butylamino)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate.
What is the SMILES notation for [1-(tert-butylamino)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate?
The canonical SMILES for [1-(tert-butylamino)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate is CC(OC(=O)c1occc1-c1ccccc1)C(=O)NC(C)(C)C.
What is the InChIKey of [1-(tert-butylamino)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate?
The InChIKey is SAPOGECECPRNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-12(16(20)19-18(2,3)4)23-17(21)15-14(10-11-22-15)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,19,20).
What are the key properties of [1-(tert-butylamino)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate?
[1-(tert-butylamino)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(tert-butylamino)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate is sourced from PubChem (CID 24520578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).