1-(4-tert-butylphenyl)-2-(cyclohexylamino)ethanone

C18H27NO — CID 82101742

IUPAC1-(4-tert-butylphenyl)-2-(cyclohexylamino)ethanone
SMILESCC(C)(C)c1ccc(C(=O)CNC2CCCCC2)cc1
InChIInChI=1S/C18H27NO/c1-18(2,3)15-11-9-14(10-12-15)17(20)13-19-16-7-5-4-6-8-16/h9-12,16,19H,4-8,13H2,1-3H3
InChIKeyVVDMSPAEONAKIV-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.09
Rot. Bonds4

About 1-(4-tert-butylphenyl)-2-(cyclohexylamino)ethanone

1-(4-tert-butylphenyl)-2-(cyclohexylamino)ethanone (PubChem CID 82101742) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(cyclohexylamino)ethanone.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(cyclohexylamino)ethanone
PubChem CID82101742
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-(4-tert-butylphenyl)-2-(cyclohexylamino)ethanone
SMILESCC(C)(C)c1ccc(C(=O)CNC2CCCCC2)cc1
InChIInChI=1S/C18H27NO/c1-18(2,3)15-11-9-14(10-12-15)17(20)13-19-16-7-5-4-6-8-16/h9-12,16,19H,4-8,13H2,1-3H3
InChIKeyVVDMSPAEONAKIV-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-2-(cycloheptylamino)ethanone
CID 82101744
2-(cyclooctylamino)-1-(4-ethylphenyl)ethanone
CID 82101307
1-(4-aminophenyl)-2-(cyclohexylamino)ethanone
CID 82258202
2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone
CID 2404150
1-(4-aminophenyl)-2-(cyclopentylamino)ethanone
CID 82258201
1-(4-tert-butylphenyl)-2-cyclohexylethanone
CID 43337749
2-(cyclopentylamino)-1-(4-cyclopropyloxyphenyl)ethanone
CID 114520577
2-(cyclooctylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82101392
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone
CID 82102039
1,5-bis(4-tert-butylphenyl)pentane-1,3,5-trione
CID 66932735
2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone
CID 82116606
N-[(4-tert-butylphenyl)methyl]cycloheptanamine
CID 28509997

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(cyclohexylamino)ethanone?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(cyclohexylamino)ethanone (CID 82101742) is 1-(4-tert-butylphenyl)-2-(cyclohexylamino)ethanone.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(cyclohexylamino)ethanone?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(cyclohexylamino)ethanone is CC(C)(C)c1ccc(C(=O)CNC2CCCCC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(cyclohexylamino)ethanone?
The InChIKey is VVDMSPAEONAKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-18(2,3)15-11-9-14(10-12-15)17(20)13-19-16-7-5-4-6-8-16/h9-12,16,19H,4-8,13H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(cyclohexylamino)ethanone?
1-(4-tert-butylphenyl)-2-(cyclohexylamino)ethanone has a molecular weight of 273.42 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(cyclohexylamino)ethanone is sourced from PubChem (CID 82101742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).