1-(3-cyclobutylphenyl)-2-(cyclopentylamino)ethanone

C17H23NO — CID 114607490

IUPAC1-(3-cyclobutylphenyl)-2-(cyclopentylamino)ethanone
SMILESO=C(CNC1CCCC1)c1cccc(C2CCC2)c1
InChIInChI=1S/C17H23NO/c19-17(12-18-16-9-1-2-10-16)15-8-4-7-14(11-15)13-5-3-6-13/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12H2
InChIKeyHTLLDVQAVFGPEC-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.67
Rot. Bonds5

About 1-(3-cyclobutylphenyl)-2-(cyclopentylamino)ethanone

1-(3-cyclobutylphenyl)-2-(cyclopentylamino)ethanone (PubChem CID 114607490) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-(cyclopentylamino)ethanone.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-(cyclopentylamino)ethanone
PubChem CID114607490
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(3-cyclobutylphenyl)-2-(cyclopentylamino)ethanone
SMILESO=C(CNC1CCCC1)c1cccc(C2CCC2)c1
InChIInChI=1S/C17H23NO/c19-17(12-18-16-9-1-2-10-16)15-8-4-7-14(11-15)13-5-3-6-13/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12H2
InChIKeyHTLLDVQAVFGPEC-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3-cyclohexylphenyl)ethanone
CID 83836181
3-amino-1-(3-cycloheptylphenyl)propan-1-one
CID 117365936
1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone
CID 105135206
methyl 3-cyclohexylbenzoate
CID 67160762
2-(cyclooctylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82101392
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone
CID 82102039
2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone
CID 114607601
3-amino-1-(3-cyclobutylphenyl)pentan-1-one
CID 114607770
1-[3-(3,3-dimethylcyclohexyl)phenyl]-2-(methylamino)ethanone
CID 117402794
1-(4-aminophenyl)-2-(cyclopentylamino)ethanone
CID 82258201
(4-aminophenyl)-(3-cyclobutylphenyl)methanone
CID 114607433
2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone
CID 82116606

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-(cyclopentylamino)ethanone?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-(cyclopentylamino)ethanone (CID 114607490) is 1-(3-cyclobutylphenyl)-2-(cyclopentylamino)ethanone.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-(cyclopentylamino)ethanone?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-(cyclopentylamino)ethanone is O=C(CNC1CCCC1)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-(cyclopentylamino)ethanone?
The InChIKey is HTLLDVQAVFGPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c19-17(12-18-16-9-1-2-10-16)15-8-4-7-14(11-15)13-5-3-6-13/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12H2.
What are the key properties of 1-(3-cyclobutylphenyl)-2-(cyclopentylamino)ethanone?
1-(3-cyclobutylphenyl)-2-(cyclopentylamino)ethanone has a molecular weight of 257.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-2-(cyclopentylamino)ethanone is sourced from PubChem (CID 114607490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).