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

C19H29NO — CID 82101744

IUPAC1-(4-tert-butylphenyl)-2-(cycloheptylamino)ethanone
SMILESCC(C)(C)c1ccc(C(=O)CNC2CCCCCC2)cc1
InChIInChI=1S/C19H29NO/c1-19(2,3)16-12-10-15(11-13-16)18(21)14-20-17-8-6-4-5-7-9-17/h10-13,17,20H,4-9,14H2,1-3H3
InChIKeyBGBDLADZPRSJAH-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.48
Rot. Bonds4

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

1-(4-tert-butylphenyl)-2-(cycloheptylamino)ethanone (PubChem CID 82101744) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(cycloheptylamino)ethanone.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(cycloheptylamino)ethanone
PubChem CID82101744
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(4-tert-butylphenyl)-2-(cycloheptylamino)ethanone
SMILESCC(C)(C)c1ccc(C(=O)CNC2CCCCCC2)cc1
InChIInChI=1S/C19H29NO/c1-19(2,3)16-12-10-15(11-13-16)18(21)14-20-17-8-6-4-5-7-9-17/h10-13,17,20H,4-9,14H2,1-3H3
InChIKeyBGBDLADZPRSJAH-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
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-(cycloheptylamino)ethanone?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(cycloheptylamino)ethanone (CID 82101744) is 1-(4-tert-butylphenyl)-2-(cycloheptylamino)ethanone.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(cycloheptylamino)ethanone?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(cycloheptylamino)ethanone is CC(C)(C)c1ccc(C(=O)CNC2CCCCCC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(cycloheptylamino)ethanone?
The InChIKey is BGBDLADZPRSJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-19(2,3)16-12-10-15(11-13-16)18(21)14-20-17-8-6-4-5-7-9-17/h10-13,17,20H,4-9,14H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(cycloheptylamino)ethanone?
1-(4-tert-butylphenyl)-2-(cycloheptylamino)ethanone has a molecular weight of 287.45 g/mol, XLogP of 4.48, 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-(cycloheptylamino)ethanone is sourced from PubChem (CID 82101744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).