furan-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone

C18H21NO3 — CID 51267049

IUPACfuran-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone
SMILESCOc1ccc(C2CCCCCN2C(=O)c2ccoc2)cc1
InChIInChI=1S/C18H21NO3/c1-21-16-8-6-14(7-9-16)17-5-3-2-4-11-19(17)18(20)15-10-12-22-13-15/h6-10,12-13,17H,2-5,11H2,1H3
InChIKeyWFMLJGWWNYUDBV-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.05
Rot. Bonds3

About furan-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone

furan-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone (PubChem CID 51267049) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is furan-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone
PubChem CID51267049
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Namefuran-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone
SMILESCOc1ccc(C2CCCCCN2C(=O)c2ccoc2)cc1
InChIInChI=1S/C18H21NO3/c1-21-16-8-6-14(7-9-16)17-5-3-2-4-11-19(17)18(20)15-10-12-22-13-15/h6-10,12-13,17H,2-5,11H2,1H3
InChIKeyWFMLJGWWNYUDBV-UHFFFAOYSA-N
XLogP4.05
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631497
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
1-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 46637926
N-[4-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31797117
2-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69349219
(5-bromo-3-pyridinyl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 31796701
(2,4-dimethoxyphenyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 55440342
2,3-dihydro-1,4-dioxin-5-yl-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 31796724
[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylphenyl)methanone
CID 9361971
3-chloro-5-[2-(4-methoxyphenyl)azepane-1-carbonyl]-1H-pyridin-2-one
CID 75404382
4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 26996046
(3,6-dichloro-2-pyridinyl)-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 31797521

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone?
The IUPAC name of furan-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone (CID 51267049) is furan-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone?
The canonical SMILES for furan-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone is COc1ccc(C2CCCCCN2C(=O)c2ccoc2)cc1.
What is the InChIKey of furan-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone?
The InChIKey is WFMLJGWWNYUDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-21-16-8-6-14(7-9-16)17-5-3-2-4-11-19(17)18(20)15-10-12-22-13-15/h6-10,12-13,17H,2-5,11H2,1H3.
What are the key properties of furan-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone?
furan-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone has a molecular weight of 299.37 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone is sourced from PubChem (CID 51267049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).