[3-(4-methoxyphenyl)azepan-1-yl]-naphthalen-2-ylmethanone

C24H25NO2 — CID 121146989

IUPAC[3-(4-methoxyphenyl)azepan-1-yl]-naphthalen-2-ylmethanone
SMILESCOc1ccc(C2CCCCN(C(=O)c3ccc4ccccc4c3)C2)cc1
InChIInChI=1S/C24H25NO2/c1-27-23-13-11-19(12-14-23)22-8-4-5-15-25(17-22)24(26)21-10-9-18-6-2-3-7-20(18)16-21/h2-3,6-7,9-14,16,22H,4-5,8,15,17H2,1H3
InChIKeyYOEAVBFYOWFQEN-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.26
Rot. Bonds3

About [3-(4-methoxyphenyl)azepan-1-yl]-naphthalen-2-ylmethanone

[3-(4-methoxyphenyl)azepan-1-yl]-naphthalen-2-ylmethanone (PubChem CID 121146989) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)azepan-1-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)azepan-1-yl]-naphthalen-2-ylmethanone
PubChem CID121146989
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name[3-(4-methoxyphenyl)azepan-1-yl]-naphthalen-2-ylmethanone
SMILESCOc1ccc(C2CCCCN(C(=O)c3ccc4ccccc4c3)C2)cc1
InChIInChI=1S/C24H25NO2/c1-27-23-13-11-19(12-14-23)22-8-4-5-15-25(17-22)24(26)21-10-9-18-6-2-3-7-20(18)16-21/h2-3,6-7,9-14,16,22H,4-5,8,15,17H2,1H3
InChIKeyYOEAVBFYOWFQEN-UHFFFAOYSA-N
XLogP5.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-methoxyphenyl)azepan-1-yl]-(4-methylphenyl)methanone
CID 121146944
(4-bromophenyl)-[(3R)-3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 99883377
[3-(dimethylamino)phenyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 73168601
[3-(4-methoxyphenyl)azepan-1-yl]-(2-methylphenyl)methanone
CID 121146942
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
cyclopropyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 73168589
cyclopropyl-[(3S)-3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 99883367
(3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone
CID 121146218
cyclohexyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146925
(3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 86780197
2-[3-(4-methoxyphenyl)azepane-1-carbonyl]chromen-4-one
CID 121147054
benzyl 3-(4-methoxyphenyl)azepane-1-carboxylate
CID 121147148

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)azepan-1-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [3-(4-methoxyphenyl)azepan-1-yl]-naphthalen-2-ylmethanone (CID 121146989) is [3-(4-methoxyphenyl)azepan-1-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [3-(4-methoxyphenyl)azepan-1-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [3-(4-methoxyphenyl)azepan-1-yl]-naphthalen-2-ylmethanone is COc1ccc(C2CCCCN(C(=O)c3ccc4ccccc4c3)C2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)azepan-1-yl]-naphthalen-2-ylmethanone?
The InChIKey is YOEAVBFYOWFQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-27-23-13-11-19(12-14-23)22-8-4-5-15-25(17-22)24(26)21-10-9-18-6-2-3-7-20(18)16-21/h2-3,6-7,9-14,16,22H,4-5,8,15,17H2,1H3.
What are the key properties of [3-(4-methoxyphenyl)azepan-1-yl]-naphthalen-2-ylmethanone?
[3-(4-methoxyphenyl)azepan-1-yl]-naphthalen-2-ylmethanone has a molecular weight of 359.47 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)azepan-1-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 121146989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).