7-cyclobutyloxy-1-benzofuran;N-cyclohexylformamide;propan-2-ol

C22H33NO4 — CID 142323074

IUPAC7-cyclobutyloxy-1-benzofuran;N-cyclohexylformamide;propan-2-ol
SMILESCC(C)O.O=CNC1CCCCC1.c1cc(OC2CCC2)c2occc2c1
InChIInChI=1S/C12H12O2.C7H13NO.C3H8O/c1-3-9-7-8-13-12(9)11(6-1)14-10-4-2-5-10;9-6-8-7-4-2-1-3-5-7;1-3(2)4/h1,3,6-8,10H,2,4-5H2;6-7H,1-5H2,(H,8,9);3-4H,1-2H3
InChIKeyGQLJBECAJLEQKA-UHFFFAOYSA-N
MW375.51 g/mol
LogP4.82
Rot. Bonds4

About 7-cyclobutyloxy-1-benzofuran;N-cyclohexylformamide;propan-2-ol

7-cyclobutyloxy-1-benzofuran;N-cyclohexylformamide;propan-2-ol (PubChem CID 142323074) has the molecular formula C22H33NO4 and a molecular weight of 375.51 g/mol. Its IUPAC name is 7-cyclobutyloxy-1-benzofuran;N-cyclohexylformamide;propan-2-ol.

Molecular Properties

Compound Name7-cyclobutyloxy-1-benzofuran;N-cyclohexylformamide;propan-2-ol
PubChem CID142323074
Molecular FormulaC22H33NO4
Molecular Weight375.51 g/mol
Exact Mass375.24
IUPAC Name7-cyclobutyloxy-1-benzofuran;N-cyclohexylformamide;propan-2-ol
SMILESCC(C)O.O=CNC1CCCCC1.c1cc(OC2CCC2)c2occc2c1
InChIInChI=1S/C12H12O2.C7H13NO.C3H8O/c1-3-9-7-8-13-12(9)11(6-1)14-10-4-2-5-10;9-6-8-7-4-2-1-3-5-7;1-3(2)4/h1,3,6-8,10H,2,4-5H2;6-7H,1-5H2,(H,8,9);3-4H,1-2H3
InChIKeyGQLJBECAJLEQKA-UHFFFAOYSA-N
XLogP4.82
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyloxy-1-benzofuran;N-cyclohexylformamide;propan-2-ol?
The IUPAC name of 7-cyclobutyloxy-1-benzofuran;N-cyclohexylformamide;propan-2-ol (CID 142323074) is 7-cyclobutyloxy-1-benzofuran;N-cyclohexylformamide;propan-2-ol.
What is the SMILES notation for 7-cyclobutyloxy-1-benzofuran;N-cyclohexylformamide;propan-2-ol?
The canonical SMILES for 7-cyclobutyloxy-1-benzofuran;N-cyclohexylformamide;propan-2-ol is CC(C)O.O=CNC1CCCCC1.c1cc(OC2CCC2)c2occc2c1.
What is the InChIKey of 7-cyclobutyloxy-1-benzofuran;N-cyclohexylformamide;propan-2-ol?
The InChIKey is GQLJBECAJLEQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2.C7H13NO.C3H8O/c1-3-9-7-8-13-12(9)11(6-1)14-10-4-2-5-10;9-6-8-7-4-2-1-3-5-7;1-3(2)4/h1,3,6-8,10H,2,4-5H2;6-7H,1-5H2,(H,8,9);3-4H,1-2H3.
What are the key properties of 7-cyclobutyloxy-1-benzofuran;N-cyclohexylformamide;propan-2-ol?
7-cyclobutyloxy-1-benzofuran;N-cyclohexylformamide;propan-2-ol has a molecular weight of 375.51 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyloxy-1-benzofuran;N-cyclohexylformamide;propan-2-ol is sourced from PubChem (CID 142323074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).