2,3-dihydro-1-benzofuran-2-yl-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone

C20H21NO4 — CID 77084904

IUPAC2,3-dihydro-1-benzofuran-2-yl-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone
SMILESCOc1cccc2c1OCCCN(C(=O)C1Cc3ccccc3O1)C2
InChIInChI=1S/C20H21NO4/c1-23-17-9-4-7-15-13-21(10-5-11-24-19(15)17)20(22)18-12-14-6-2-3-8-16(14)25-18/h2-4,6-9,18H,5,10-13H2,1H3
InChIKeyXLUDKAHWZFJMAW-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.81
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-2-yl-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone

2,3-dihydro-1-benzofuran-2-yl-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone (PubChem CID 77084904) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-2-yl-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-2-yl-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone
PubChem CID77084904
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name2,3-dihydro-1-benzofuran-2-yl-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone
SMILESCOc1cccc2c1OCCCN(C(=O)C1Cc3ccccc3O1)C2
InChIInChI=1S/C20H21NO4/c1-23-17-9-4-7-15-13-21(10-5-11-24-19(15)17)20(22)18-12-14-6-2-3-8-16(14)25-18/h2-4,6-9,18H,5,10-13H2,1H3
InChIKeyXLUDKAHWZFJMAW-UHFFFAOYSA-N
XLogP2.81
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dihydro-1H-pyrrol-2-yl-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone
CID 122564327
1-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)phenyl]ethanone
CID 77091655
2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
CID 2842480
2,3-dihydro-1-benzofuran-2-yl-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 47027785
(2R)-2-amino-1-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-4-methylpentan-1-one
CID 56878940
1-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-2-(1-methylpyrrol-2-yl)ethane-1,2-dione
CID 77083454
4-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 131943570
1-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 77090071
(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-(2-methyl-2,8-diazaspiro[4.5]decan-3-yl)methanone;dihydrochloride
CID 154894199
(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone
CID 70751373
(2S)-1-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 99943592
3-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 72925186

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-2-yl-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-2-yl-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone (CID 77084904) is 2,3-dihydro-1-benzofuran-2-yl-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-2-yl-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-2-yl-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone is COc1cccc2c1OCCCN(C(=O)C1Cc3ccccc3O1)C2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-2-yl-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone?
The InChIKey is XLUDKAHWZFJMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-23-17-9-4-7-15-13-21(10-5-11-24-19(15)17)20(22)18-12-14-6-2-3-8-16(14)25-18/h2-4,6-9,18H,5,10-13H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-2-yl-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone?
2,3-dihydro-1-benzofuran-2-yl-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone has a molecular weight of 339.39 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-2-yl-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone is sourced from PubChem (CID 77084904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).