(2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]phenyl]methanone

C25H31NO3 — CID 559497

IUPAC(2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]phenyl]methanone
SMILESCCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)cc1
InChIInChI=1S/C25H31NO3/c1-4-7-11-23-24(21-10-8-9-12-22(21)29-23)25(27)19-13-15-20(16-14-19)28-18-17-26(5-2)6-3/h8-10,12-16H,4-7,11,17-18H2,1-3H3
InChIKeyPNZXBMCTFUFPLR-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.73
Rot. Bonds11

About (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]phenyl]methanone

(2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]phenyl]methanone (PubChem CID 559497) has the molecular formula C25H31NO3 and a molecular weight of 393.53 g/mol. Its IUPAC name is (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]phenyl]methanone.

Molecular Properties

Compound Name(2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]phenyl]methanone
PubChem CID559497
Molecular FormulaC25H31NO3
Molecular Weight393.53 g/mol
Exact Mass393.23
IUPAC Name(2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]phenyl]methanone
SMILESCCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)cc1
InChIInChI=1S/C25H31NO3/c1-4-7-11-23-24(21-10-8-9-12-22(21)29-23)25(27)19-13-15-20(16-14-19)28-18-17-26(5-2)6-3/h8-10,12-16H,4-7,11,17-18H2,1-3H3
InChIKeyPNZXBMCTFUFPLR-UHFFFAOYSA-N
XLogP5.73
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]phenyl]methanone?
The IUPAC name of (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]phenyl]methanone (CID 559497) is (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]phenyl]methanone.
What is the SMILES notation for (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]phenyl]methanone?
The canonical SMILES for (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]phenyl]methanone is CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)cc1.
What is the InChIKey of (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]phenyl]methanone?
The InChIKey is PNZXBMCTFUFPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO3/c1-4-7-11-23-24(21-10-8-9-12-22(21)29-23)25(27)19-13-15-20(16-14-19)28-18-17-26(5-2)6-3/h8-10,12-16H,4-7,11,17-18H2,1-3H3.
What are the key properties of (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]phenyl]methanone?
(2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]phenyl]methanone has a molecular weight of 393.53 g/mol, XLogP of 5.73, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]phenyl]methanone is sourced from PubChem (CID 559497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).