2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone

C16H23NO2 — CID 2404150

IUPAC2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CNC2CCCCCC2)cc1
InChIInChI=1S/C16H23NO2/c1-19-15-10-8-13(9-11-15)16(18)12-17-14-6-4-2-3-5-7-14/h8-11,14,17H,2-7,12H2,1H3
InChIKeyIZLFIAIEHYXZSF-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.19
Rot. Bonds5

About 2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone

2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone (PubChem CID 2404150) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone
PubChem CID2404150
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CNC2CCCCCC2)cc1
InChIInChI=1S/C16H23NO2/c1-19-15-10-8-13(9-11-15)16(18)12-17-14-6-4-2-3-5-7-14/h8-11,14,17H,2-7,12H2,1H3
InChIKeyIZLFIAIEHYXZSF-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-1-(4-cyclopropyloxyphenyl)ethanone
CID 114520577
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone
CID 82102039
1-(4-tert-butylphenyl)-2-(cyclohexylamino)ethanone
CID 82101742
2-(cyclooctylamino)-1-(4-ethylphenyl)ethanone
CID 82101307
1-(4-aminophenyl)-2-(cyclohexylamino)ethanone
CID 82258202
1-(4-aminophenyl)-2-(cyclopentylamino)ethanone
CID 82258201
3-cyclohexyl-3-fluoro-1-(4-methoxyphenyl)propan-1-one
CID 22934178
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone
CID 62381534
2-(cyclopentylamino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60686888
N-cyclohexyl-2-(4-methoxyphenyl)-2-oxoacetamide
CID 11414317
N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 94261270
3-bromo-3-cyclohexyl-1-(4-methoxyphenyl)propan-1-one
CID 22934209

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone (CID 2404150) is 2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CNC2CCCCCC2)cc1.
What is the InChIKey of 2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone?
The InChIKey is IZLFIAIEHYXZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-19-15-10-8-13(9-11-15)16(18)12-17-14-6-4-2-3-5-7-14/h8-11,14,17H,2-7,12H2,1H3.
What are the key properties of 2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone?
2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone has a molecular weight of 261.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 2404150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).