2-(cyclopentylamino)-1-(4-cyclopropyloxyphenyl)ethanone

C16H21NO2 — CID 114520577

IUPAC2-(cyclopentylamino)-1-(4-cyclopropyloxyphenyl)ethanone
SMILESO=C(CNC1CCCC1)c1ccc(OC2CC2)cc1
InChIInChI=1S/C16H21NO2/c18-16(11-17-13-3-1-2-4-13)12-5-7-14(8-6-12)19-15-9-10-15/h5-8,13,15,17H,1-4,9-11H2
InChIKeyYLLKBQMUXZNABV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.94
Rot. Bonds6

About 2-(cyclopentylamino)-1-(4-cyclopropyloxyphenyl)ethanone

2-(cyclopentylamino)-1-(4-cyclopropyloxyphenyl)ethanone (PubChem CID 114520577) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(cyclopentylamino)-1-(4-cyclopropyloxyphenyl)ethanone.

Molecular Properties

Compound Name2-(cyclopentylamino)-1-(4-cyclopropyloxyphenyl)ethanone
PubChem CID114520577
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-(cyclopentylamino)-1-(4-cyclopropyloxyphenyl)ethanone
SMILESO=C(CNC1CCCC1)c1ccc(OC2CC2)cc1
InChIInChI=1S/C16H21NO2/c18-16(11-17-13-3-1-2-4-13)12-5-7-14(8-6-12)19-15-9-10-15/h5-8,13,15,17H,1-4,9-11H2
InChIKeyYLLKBQMUXZNABV-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone
CID 2404150
1-(4-aminophenyl)-2-(cyclopentylamino)ethanone
CID 82258201
1-(4-aminophenyl)-2-(cyclohexylamino)ethanone
CID 82258202
2-(cyclooctylamino)-1-(4-ethylphenyl)ethanone
CID 82101307
1-(4-tert-butylphenyl)-2-(cycloheptylamino)ethanone
CID 82101744
1-(4-tert-butylphenyl)-2-(cyclohexylamino)ethanone
CID 82101742
2-cyclohexylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanone
CID 114518858
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone
CID 82102039
N-(4-cyclopentyloxyphenyl)-4-ethoxybenzamide
CID 36565370
4-cycloheptyloxybenzamide
CID 141109251
N-[(4-cyclopentyloxyphenyl)methyl]cyclopentanamine
CID 39360486
2-(cyclohexen-1-yl)-1-(4-cyclopropyloxyphenyl)ethanone
CID 114518972

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-1-(4-cyclopropyloxyphenyl)ethanone?
The IUPAC name of 2-(cyclopentylamino)-1-(4-cyclopropyloxyphenyl)ethanone (CID 114520577) is 2-(cyclopentylamino)-1-(4-cyclopropyloxyphenyl)ethanone.
What is the SMILES notation for 2-(cyclopentylamino)-1-(4-cyclopropyloxyphenyl)ethanone?
The canonical SMILES for 2-(cyclopentylamino)-1-(4-cyclopropyloxyphenyl)ethanone is O=C(CNC1CCCC1)c1ccc(OC2CC2)cc1.
What is the InChIKey of 2-(cyclopentylamino)-1-(4-cyclopropyloxyphenyl)ethanone?
The InChIKey is YLLKBQMUXZNABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-16(11-17-13-3-1-2-4-13)12-5-7-14(8-6-12)19-15-9-10-15/h5-8,13,15,17H,1-4,9-11H2.
What are the key properties of 2-(cyclopentylamino)-1-(4-cyclopropyloxyphenyl)ethanone?
2-(cyclopentylamino)-1-(4-cyclopropyloxyphenyl)ethanone has a molecular weight of 259.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-1-(4-cyclopropyloxyphenyl)ethanone is sourced from PubChem (CID 114520577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).