2-(cycloheptylamino)-1-(2,5-dimethylphenyl)ethanone

C17H25NO — CID 82121333

IUPAC2-(cycloheptylamino)-1-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(C(=O)CNC2CCCCCC2)c1
InChIInChI=1S/C17H25NO/c1-13-9-10-14(2)16(11-13)17(19)12-18-15-7-5-3-4-6-8-15/h9-11,15,18H,3-8,12H2,1-2H3
InChIKeyMZHBCDHQMYANCM-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.80
Rot. Bonds4

About 2-(cycloheptylamino)-1-(2,5-dimethylphenyl)ethanone

2-(cycloheptylamino)-1-(2,5-dimethylphenyl)ethanone (PubChem CID 82121333) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(cycloheptylamino)-1-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(cycloheptylamino)-1-(2,5-dimethylphenyl)ethanone
PubChem CID82121333
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-(cycloheptylamino)-1-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(C(=O)CNC2CCCCCC2)c1
InChIInChI=1S/C17H25NO/c1-13-9-10-14(2)16(11-13)17(19)12-18-15-7-5-3-4-6-8-15/h9-11,15,18H,3-8,12H2,1-2H3
InChIKeyMZHBCDHQMYANCM-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2,5-dimethylbenzamide
CID 925443
N-cyclohexyl-2-(2,5-dimethylphenyl)-2-oxoacetamide
CID 82121275
2-(cyclohexylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110653828
2-(cyclopentylamino)-N-(2-fluoro-4-methylphenyl)acetamide
CID 60648408
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
[2-(cyclopentylamino)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212906
2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 114239619
2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone
CID 82116606
N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine
CID 63504780
2-(cyclopropylamino)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 98784307
2-(cyclopentylamino)-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 96677935
2-chloro-1-(2,5-dimethylphenyl)ethanone
CID 2363693

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-1-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 2-(cycloheptylamino)-1-(2,5-dimethylphenyl)ethanone (CID 82121333) is 2-(cycloheptylamino)-1-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(cycloheptylamino)-1-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-(cycloheptylamino)-1-(2,5-dimethylphenyl)ethanone is Cc1ccc(C)c(C(=O)CNC2CCCCCC2)c1.
What is the InChIKey of 2-(cycloheptylamino)-1-(2,5-dimethylphenyl)ethanone?
The InChIKey is MZHBCDHQMYANCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-9-10-14(2)16(11-13)17(19)12-18-15-7-5-3-4-6-8-15/h9-11,15,18H,3-8,12H2,1-2H3.
What are the key properties of 2-(cycloheptylamino)-1-(2,5-dimethylphenyl)ethanone?
2-(cycloheptylamino)-1-(2,5-dimethylphenyl)ethanone has a molecular weight of 259.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-1-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 82121333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).