[4-[2-[2-(diethylamino)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone

C25H30N2O3 — CID 10201388

IUPAC[4-[2-[2-(diethylamino)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCCN(CC)CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2o1
InChIInChI=1S/C25H30N2O3/c1-3-26(4-2)12-11-23-18-22-17-21(9-10-24(22)30-23)19-5-7-20(8-6-19)25(28)27-13-15-29-16-14-27/h5-10,17-18H,3-4,11-16H2,1-2H3
InChIKeyURZQWXKZZXBEAA-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.46
Rot. Bonds7

About [4-[2-[2-(diethylamino)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone

[4-[2-[2-(diethylamino)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 10201388) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is [4-[2-[2-(diethylamino)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-[2-(diethylamino)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID10201388
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name[4-[2-[2-(diethylamino)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCCN(CC)CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2o1
InChIInChI=1S/C25H30N2O3/c1-3-26(4-2)12-11-23-18-22-17-21(9-10-24(22)30-23)19-5-7-20(8-6-19)25(28)27-13-15-29-16-14-27/h5-10,17-18H,3-4,11-16H2,1-2H3
InChIKeyURZQWXKZZXBEAA-UHFFFAOYSA-N
XLogP4.46
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-[2-[ethyl(propyl)amino]ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
CID 10136940
[4-[2-(2-hydroxyethyl)-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
CID 22274541
2-[5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]ethyl methanesulfonate
CID 22274531
[4-[2-[2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
CID 10048448
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
[6-[2-[2-(5-hydroxy-2,3-dihydropyrrol-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 70142559
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
[6-[2-[2-(5-hydroxy-2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 67534144
[5-[2-[2-[(2S)-2-hydroxypyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 10002279
2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde
CID 59599773
1-[4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone
CID 24736094
morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone
CID 3399674

Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-(diethylamino)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[2-[2-(diethylamino)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone (CID 10201388) is [4-[2-[2-(diethylamino)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[2-[2-(diethylamino)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[2-[2-(diethylamino)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone is CCN(CC)CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2o1.
What is the InChIKey of [4-[2-[2-(diethylamino)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is URZQWXKZZXBEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-3-26(4-2)12-11-23-18-22-17-21(9-10-24(22)30-23)19-5-7-20(8-6-19)25(28)27-13-15-29-16-14-27/h5-10,17-18H,3-4,11-16H2,1-2H3.
What are the key properties of [4-[2-[2-(diethylamino)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone?
[4-[2-[2-(diethylamino)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 406.53 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[2-(diethylamino)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 10201388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).