[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

C20H24N2O6 — CID 2997971

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
SMILESCC(C)C(NC(=O)OCc1ccccc1)C(=O)OCC(=O)NCc1ccco1
InChIInChI=1S/C20H24N2O6/c1-14(2)18(22-20(25)28-12-15-7-4-3-5-8-15)19(24)27-13-17(23)21-11-16-9-6-10-26-16/h3-10,14,18H,11-13H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyVBIKPGIMTBXFSR-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.39
Rot. Bonds9

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate (PubChem CID 2997971) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
PubChem CID2997971
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
SMILESCC(C)C(NC(=O)OCc1ccccc1)C(=O)OCC(=O)NCc1ccco1
InChIInChI=1S/C20H24N2O6/c1-14(2)18(22-20(25)28-12-15-7-4-3-5-8-15)19(24)27-13-17(23)21-11-16-9-6-10-26-16/h3-10,14,18H,11-13H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyVBIKPGIMTBXFSR-UHFFFAOYSA-N
XLogP2.39
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate (CID 2997971) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate is CC(C)C(NC(=O)OCc1ccccc1)C(=O)OCC(=O)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate?
The InChIKey is VBIKPGIMTBXFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-14(2)18(22-20(25)28-12-15-7-4-3-5-8-15)19(24)27-13-17(23)21-11-16-9-6-10-26-16/h3-10,14,18H,11-13H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate has a molecular weight of 388.42 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate is sourced from PubChem (CID 2997971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).