1-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1-carboxamide

C17H25NO2 — CID 102677400

IUPAC1-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1-carboxamide
SMILESCCC1(C(=O)N[C@H](CO)Cc2ccccc2)CCCC1
InChIInChI=1S/C17H25NO2/c1-2-17(10-6-7-11-17)16(20)18-15(13-19)12-14-8-4-3-5-9-14/h3-5,8-9,15,19H,2,6-7,10-13H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyPUAFXBKEFWUIFE-HNNXBMFYSA-N
MW275.39 g/mol
LogP2.68
Rot. Bonds6

About 1-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1-carboxamide

1-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1-carboxamide (PubChem CID 102677400) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1-carboxamide
PubChem CID102677400
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1-carboxamide
SMILESCCC1(C(=O)N[C@H](CO)Cc2ccccc2)CCCC1
InChIInChI=1S/C17H25NO2/c1-2-17(10-6-7-11-17)16(20)18-15(13-19)12-14-8-4-3-5-9-14/h3-5,8-9,15,19H,2,6-7,10-13H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyPUAFXBKEFWUIFE-HNNXBMFYSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohexane-1-carboxamide
CID 107860983
2-[[1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
CID 11682031
1-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)cyclopentane-1-carboxamide
CID 63264607
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 107863134
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63261449
4-(aminomethyl)-N-(1-hydroxy-3-phenylpropan-2-yl)oxane-4-carboxamide
CID 115439571
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide
CID 107863123
2-N,2-N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-dihydroindene-2,2-dicarboxamide
CID 24746259
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide
CID 113224124
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 129478894

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1-carboxamide (CID 102677400) is 1-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1-carboxamide is CCC1(C(=O)N[C@H](CO)Cc2ccccc2)CCCC1.
What is the InChIKey of 1-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1-carboxamide?
The InChIKey is PUAFXBKEFWUIFE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-17(10-6-7-11-17)16(20)18-15(13-19)12-14-8-4-3-5-9-14/h3-5,8-9,15,19H,2,6-7,10-13H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of 1-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1-carboxamide?
1-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1-carboxamide has a molecular weight of 275.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 102677400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).