[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate

C19H26N2O5 — CID 3228603

IUPAC[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCc1cc2c(cc(C(=O)OC(C(=O)NCC3CCCO3)C(C)C)n2C)o1
InChIInChI=1S/C19H26N2O5/c1-11(2)17(18(22)20-10-13-6-5-7-24-13)26-19(23)15-9-16-14(21(15)4)8-12(3)25-16/h8-9,11,13,17H,5-7,10H2,1-4H3,(H,20,22)
InChIKeyMIFOMLKDBYKSDC-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.56
Rot. Bonds6

About [3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate

[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate (PubChem CID 3228603) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is [3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate
PubChem CID3228603
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCc1cc2c(cc(C(=O)OC(C(=O)NCC3CCCO3)C(C)C)n2C)o1
InChIInChI=1S/C19H26N2O5/c1-11(2)17(18(22)20-10-13-6-5-7-24-13)26-19(23)15-9-16-14(21(15)4)8-12(3)25-16/h8-9,11,13,17H,5-7,10H2,1-4H3,(H,20,22)
InChIKeyMIFOMLKDBYKSDC-UHFFFAOYSA-N
XLogP2.56
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of [3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate (CID 3228603) is [3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for [3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for [3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate is Cc1cc2c(cc(C(=O)OC(C(=O)NCC3CCCO3)C(C)C)n2C)o1.
What is the InChIKey of [3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate?
The InChIKey is MIFOMLKDBYKSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-11(2)17(18(22)20-10-13-6-5-7-24-13)26-19(23)15-9-16-14(21(15)4)8-12(3)25-16/h8-9,11,13,17H,5-7,10H2,1-4H3,(H,20,22).
What are the key properties of [3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate?
[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 3228603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).