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

C23H27NO3 — CID 27444

IUPAC[4-[2-(diethylamino)ethoxy]phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone
SMILESCCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)cc1
InChIInChI=1S/C23H27NO3/c1-4-20-22(19-9-7-8-10-21(19)27-20)23(25)17-11-13-18(14-12-17)26-16-15-24(5-2)6-3/h7-14H,4-6,15-16H2,1-3H3
InChIKeySNNLEHVMRDCTNG-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.95
Rot. Bonds9

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

[4-[2-(diethylamino)ethoxy]phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone (PubChem CID 27444) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is [4-[2-(diethylamino)ethoxy]phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-(diethylamino)ethoxy]phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone
PubChem CID27444
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name[4-[2-(diethylamino)ethoxy]phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone
SMILESCCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)cc1
InChIInChI=1S/C23H27NO3/c1-4-20-22(19-9-7-8-10-21(19)27-20)23(25)17-11-13-18(14-12-17)26-16-15-24(5-2)6-3/h7-14H,4-6,15-16H2,1-3H3
InChIKeySNNLEHVMRDCTNG-UHFFFAOYSA-N
XLogP4.95
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Amiodarone
CID 2157
Amiodarone Hydrochloride
CID 441325
Benzarone
CID 255968
Etafenone
CID 3275
Desethylamiodarone
CID 104774
(2-Butylbenzofuran-3-yl) (4-hydroxy-3,5-diiodophenyl) ketone
CID 74769
(2-Butylbenzofuran-3-yl) (4-hydroxyphenyl) ketone
CID 96670
Di-N-desethylamiodarone
CID 125134
Budiodarone
CID 9833332
(2-Butylbenzofuran-3-yl)(4-(2-(diethylamino)ethoxy)-3-iodophenyl)methanone
CID 559482
Deiodoamiodarone
CID 559497
Celivarone
CID 9807128

Frequently Asked Questions

What is the IUPAC name of [4-[2-(diethylamino)ethoxy]phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone?
The IUPAC name of [4-[2-(diethylamino)ethoxy]phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone (CID 27444) is [4-[2-(diethylamino)ethoxy]phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone.
What is the SMILES notation for [4-[2-(diethylamino)ethoxy]phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone?
The canonical SMILES for [4-[2-(diethylamino)ethoxy]phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone is CCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)cc1.
What is the InChIKey of [4-[2-(diethylamino)ethoxy]phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone?
The InChIKey is SNNLEHVMRDCTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-4-20-22(19-9-7-8-10-21(19)27-20)23(25)17-11-13-18(14-12-17)26-16-15-24(5-2)6-3/h7-14H,4-6,15-16H2,1-3H3.
What are the key properties of [4-[2-(diethylamino)ethoxy]phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone?
[4-[2-(diethylamino)ethoxy]phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone has a molecular weight of 365.47 g/mol, XLogP of 4.95, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(diethylamino)ethoxy]phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 27444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).