2-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1-(1-phenylcyclopentyl)ethanone

C19H29NO2 — CID 130330384

IUPAC2-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1-(1-phenylcyclopentyl)ethanone
SMILESCC(C)C[C@@H](CO)NCC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H29NO2/c1-15(2)12-17(14-21)20-13-18(22)19(10-6-7-11-19)16-8-4-3-5-9-16/h3-5,8-9,15,17,20-21H,6-7,10-14H2,1-2H3/t17-/m0/s1
InChIKeyAPKQTEOILSHVSF-KRWDZBQOSA-N
MW303.45 g/mol
LogP3.06
Rot. Bonds8

About 2-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1-(1-phenylcyclopentyl)ethanone

2-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1-(1-phenylcyclopentyl)ethanone (PubChem CID 130330384) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1-(1-phenylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1-(1-phenylcyclopentyl)ethanone
PubChem CID130330384
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name2-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1-(1-phenylcyclopentyl)ethanone
SMILESCC(C)C[C@@H](CO)NCC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H29NO2/c1-15(2)12-17(14-21)20-13-18(22)19(10-6-7-11-19)16-8-4-3-5-9-16/h3-5,8-9,15,17,20-21H,6-7,10-14H2,1-2H3/t17-/m0/s1
InChIKeyAPKQTEOILSHVSF-KRWDZBQOSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 61246338
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
3-methyl-1-(1-phenylcyclopentyl)pentan-1-one
CID 55179619
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 79245883
N-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 61245451
2-ethoxy-1-(1-phenylcyclopentyl)ethanone
CID 79567147
3-methyl-1-(1-phenylcyclopentyl)hexan-1-one
CID 63410458
2-methylpropyl 1-phenylcyclohexane-1-carboxylate
CID 162502203
2-methoxy-1-(1-phenylcyclohexyl)ethanone
CID 79567283
N-(3-hydroxy-2-methylpropyl)-1-phenylcyclopropane-1-carboxamide
CID 65036967
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one
CID 114473546

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1-(1-phenylcyclopentyl)ethanone?
The IUPAC name of 2-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1-(1-phenylcyclopentyl)ethanone (CID 130330384) is 2-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1-(1-phenylcyclopentyl)ethanone.
What is the SMILES notation for 2-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1-(1-phenylcyclopentyl)ethanone?
The canonical SMILES for 2-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1-(1-phenylcyclopentyl)ethanone is CC(C)C[C@@H](CO)NCC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of 2-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1-(1-phenylcyclopentyl)ethanone?
The InChIKey is APKQTEOILSHVSF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29NO2/c1-15(2)12-17(14-21)20-13-18(22)19(10-6-7-11-19)16-8-4-3-5-9-16/h3-5,8-9,15,17,20-21H,6-7,10-14H2,1-2H3/t17-/m0/s1.
What are the key properties of 2-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1-(1-phenylcyclopentyl)ethanone?
2-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1-(1-phenylcyclopentyl)ethanone has a molecular weight of 303.45 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1-(1-phenylcyclopentyl)ethanone is sourced from PubChem (CID 130330384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).