2-(cyclopentylamino)-1-(2-propoxyphenyl)ethanone

C16H23NO2 — CID 116558980

IUPAC2-(cyclopentylamino)-1-(2-propoxyphenyl)ethanone
SMILESCCCOc1ccccc1C(=O)CNC1CCCC1
InChIInChI=1S/C16H23NO2/c1-2-11-19-16-10-6-5-9-14(16)15(18)12-17-13-7-3-4-8-13/h5-6,9-10,13,17H,2-4,7-8,11-12H2,1H3
InChIKeyIRURCQIHTNNREI-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.19
Rot. Bonds7

About 2-(cyclopentylamino)-1-(2-propoxyphenyl)ethanone

2-(cyclopentylamino)-1-(2-propoxyphenyl)ethanone (PubChem CID 116558980) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(cyclopentylamino)-1-(2-propoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(cyclopentylamino)-1-(2-propoxyphenyl)ethanone
PubChem CID116558980
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(cyclopentylamino)-1-(2-propoxyphenyl)ethanone
SMILESCCCOc1ccccc1C(=O)CNC1CCCC1
InChIInChI=1S/C16H23NO2/c1-2-11-19-16-10-6-5-9-14(16)15(18)12-17-13-7-3-4-8-13/h5-6,9-10,13,17H,2-4,7-8,11-12H2,1H3
InChIKeyIRURCQIHTNNREI-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone
CID 82102218
3-(cyclopropylamino)-1-(2-propoxyphenyl)propan-1-one
CID 116559237
2-cyclopropyl-1-(2-propoxyphenyl)ethanone
CID 104659396
N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine
CID 62573100
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
N-[2-[(2-propoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066359
2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659274
1-cyclohexyl-3-(2-propoxyphenyl)urea
CID 47103328
(2-propoxyphenyl)-(thiolan-2-yl)methanone
CID 104659403
2-cyclopentyl-1-(2-ethoxyphenyl)ethanone
CID 115533350
N-[2-(cycloheptylamino)ethyl]-2-(2-ethoxyethoxy)benzamide;hydrochloride
CID 119620824
2-(cyclopentylamino)-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 96677935

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-1-(2-propoxyphenyl)ethanone?
The IUPAC name of 2-(cyclopentylamino)-1-(2-propoxyphenyl)ethanone (CID 116558980) is 2-(cyclopentylamino)-1-(2-propoxyphenyl)ethanone.
What is the SMILES notation for 2-(cyclopentylamino)-1-(2-propoxyphenyl)ethanone?
The canonical SMILES for 2-(cyclopentylamino)-1-(2-propoxyphenyl)ethanone is CCCOc1ccccc1C(=O)CNC1CCCC1.
What is the InChIKey of 2-(cyclopentylamino)-1-(2-propoxyphenyl)ethanone?
The InChIKey is IRURCQIHTNNREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-11-19-16-10-6-5-9-14(16)15(18)12-17-13-7-3-4-8-13/h5-6,9-10,13,17H,2-4,7-8,11-12H2,1H3.
What are the key properties of 2-(cyclopentylamino)-1-(2-propoxyphenyl)ethanone?
2-(cyclopentylamino)-1-(2-propoxyphenyl)ethanone has a molecular weight of 261.37 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-1-(2-propoxyphenyl)ethanone is sourced from PubChem (CID 116558980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).