azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone

C16H23NO2 — CID 110763192

IUPACazepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCCCC2)c(C)c1C
InChIInChI=1S/C16H23NO2/c1-12-13(2)15(19-3)9-8-14(12)16(18)17-10-6-4-5-7-11-17/h8-9H,4-7,10-11H2,1-3H3
InChIKeyACDLBXGSFOGOOE-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.33
Rot. Bonds2

About azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone

azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone (PubChem CID 110763192) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone
PubChem CID110763192
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameazepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCCCC2)c(C)c1C
InChIInChI=1S/C16H23NO2/c1-12-13(2)15(19-3)9-8-14(12)16(18)17-10-6-4-5-7-11-17/h8-9H,4-7,10-11H2,1-3H3
InChIKeyACDLBXGSFOGOOE-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azocan-1-yl-(2,3,4-trimethoxyphenyl)methanone
CID 78771101
(4-methoxy-2,3-dimethylphenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816899
[4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803082
4-(4-methoxy-2,3-dimethylbenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813604
cyclopropyl-[4-(2,4-dimethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806504
[4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815443
(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 78988655
ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-3-carboxylate
CID 110763375
(2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 110763337
(2-methoxy-4-methylsulfanylphenyl)-piperidin-1-ylmethanone
CID 4635913
ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate
CID 110763374
(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-1-ylmethanone
CID 50882718

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone?
The IUPAC name of azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone (CID 110763192) is azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone.
What is the SMILES notation for azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone?
The canonical SMILES for azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone is COc1ccc(C(=O)N2CCCCCC2)c(C)c1C.
What is the InChIKey of azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone?
The InChIKey is ACDLBXGSFOGOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-13(2)15(19-3)9-8-14(12)16(18)17-10-6-4-5-7-11-17/h8-9H,4-7,10-11H2,1-3H3.
What are the key properties of azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone?
azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone has a molecular weight of 261.37 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone is sourced from PubChem (CID 110763192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).