1-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)phenyl]ethanone

C20H21NO4 — CID 77091655

IUPAC1-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)phenyl]ethanone
SMILESCOc1cccc2c1OCCCN(C(=O)c1ccccc1C(C)=O)C2
InChIInChI=1S/C20H21NO4/c1-14(22)16-8-3-4-9-17(16)20(23)21-11-6-12-25-19-15(13-21)7-5-10-18(19)24-2/h3-5,7-10H,6,11-13H2,1-2H3
InChIKeyATIKEDUJFCIWMS-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.32
Rot. Bonds3

About 1-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)phenyl]ethanone

1-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)phenyl]ethanone (PubChem CID 77091655) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)phenyl]ethanone
PubChem CID77091655
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name1-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)phenyl]ethanone
SMILESCOc1cccc2c1OCCCN(C(=O)c1ccccc1C(C)=O)C2
InChIInChI=1S/C20H21NO4/c1-14(22)16-8-3-4-9-17(16)20(23)21-11-6-12-25-19-15(13-21)7-5-10-18(19)24-2/h3-5,7-10H,6,11-13H2,1-2H3
InChIKeyATIKEDUJFCIWMS-UHFFFAOYSA-N
XLogP3.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-fluoro-2-methylquinolin-4-yl)-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone
CID 70713851
2,3-dihydro-1-benzofuran-2-yl-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone
CID 77084904
(3-fluoroimidazo[1,2-a]pyridin-2-yl)-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone
CID 72883472
1-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-2-(1-methylpyrrol-2-yl)ethane-1,2-dione
CID 77083454
(2R)-2-amino-1-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-4-methylpentan-1-one
CID 56878940
2,5-dihydro-1H-pyrrol-2-yl-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone
CID 122564327
(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-[4-[(3R)-piperidin-3-yl]phenyl]methanone
CID 97198645
3-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 72925186
(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-[1-(2-morpholin-4-ylethyl)triazol-4-yl]methanone
CID 28854239
(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
1-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 77090071
1-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 124757689

Frequently Asked Questions

What is the IUPAC name of 1-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)phenyl]ethanone?
The IUPAC name of 1-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)phenyl]ethanone (CID 77091655) is 1-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)phenyl]ethanone?
The canonical SMILES for 1-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)phenyl]ethanone is COc1cccc2c1OCCCN(C(=O)c1ccccc1C(C)=O)C2.
What is the InChIKey of 1-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)phenyl]ethanone?
The InChIKey is ATIKEDUJFCIWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-14(22)16-8-3-4-9-17(16)20(23)21-11-6-12-25-19-15(13-21)7-5-10-18(19)24-2/h3-5,7-10H,6,11-13H2,1-2H3.
What are the key properties of 1-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)phenyl]ethanone?
1-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)phenyl]ethanone has a molecular weight of 339.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)phenyl]ethanone is sourced from PubChem (CID 77091655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).