benzyl N-[(1R,2S)-2-phenylselanylcyclohexyl]carbamate

C20H23NO2Se — CID 10834125

IUPACbenzyl N-[(1R,2S)-2-phenylselanylcyclohexyl]carbamate
SMILESO=C(N[C@@H]1CCCC[C@@H]1[Se]c1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H23NO2Se/c22-20(23-15-16-9-3-1-4-10-16)21-18-13-7-8-14-19(18)24-17-11-5-2-6-12-17/h1-6,9-12,18-19H,7-8,13-15H2,(H,21,22)/t18-,19+/m1/s1
InChIKeyZLYADOTYNVWZPZ-MOPGFXCFSA-N
MW388.37 g/mol
LogP3.67
Rot. Bonds5

About benzyl N-[(1R,2S)-2-phenylselanylcyclohexyl]carbamate

benzyl N-[(1R,2S)-2-phenylselanylcyclohexyl]carbamate (PubChem CID 10834125) has the molecular formula C20H23NO2Se and a molecular weight of 388.37 g/mol. Its IUPAC name is benzyl N-[(1R,2S)-2-phenylselanylcyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R,2S)-2-phenylselanylcyclohexyl]carbamate
PubChem CID10834125
Molecular FormulaC20H23NO2Se
Molecular Weight388.37 g/mol
Exact Mass389.09
IUPAC Namebenzyl N-[(1R,2S)-2-phenylselanylcyclohexyl]carbamate
SMILESO=C(N[C@@H]1CCCC[C@@H]1[Se]c1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H23NO2Se/c22-20(23-15-16-9-3-1-4-10-16)21-18-13-7-8-14-19(18)24-17-11-5-2-6-12-17/h1-6,9-12,18-19H,7-8,13-15H2,(H,21,22)/t18-,19+/m1/s1
InChIKeyZLYADOTYNVWZPZ-MOPGFXCFSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate
CID 57331884
2-[[(1R,2S)-2-(phenylmethoxycarbonylamino)cyclohexyl]amino]acetic acid
CID 96552250
benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid
CID 91810202
benzyl N-(2-carbamoylcyclohexyl)carbamate
CID 72740883
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[(2S)-2-formylcyclohexyl]carbamate
CID 89323392
benzyl N-[(1R,2S)-2-[(2-chloroacetyl)amino]cyclohexyl]carbamate
CID 96552542
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
cis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
CID 11921385
benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate
CID 174499936
benzyl N-[(2S)-2-ethenylcyclohexyl]carbamate
CID 144785907

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R,2S)-2-phenylselanylcyclohexyl]carbamate?
The IUPAC name of benzyl N-[(1R,2S)-2-phenylselanylcyclohexyl]carbamate (CID 10834125) is benzyl N-[(1R,2S)-2-phenylselanylcyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[(1R,2S)-2-phenylselanylcyclohexyl]carbamate?
The canonical SMILES for benzyl N-[(1R,2S)-2-phenylselanylcyclohexyl]carbamate is O=C(N[C@@H]1CCCC[C@@H]1[Se]c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1R,2S)-2-phenylselanylcyclohexyl]carbamate?
The InChIKey is ZLYADOTYNVWZPZ-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H23NO2Se/c22-20(23-15-16-9-3-1-4-10-16)21-18-13-7-8-14-19(18)24-17-11-5-2-6-12-17/h1-6,9-12,18-19H,7-8,13-15H2,(H,21,22)/t18-,19+/m1/s1.
What are the key properties of benzyl N-[(1R,2S)-2-phenylselanylcyclohexyl]carbamate?
benzyl N-[(1R,2S)-2-phenylselanylcyclohexyl]carbamate has a molecular weight of 388.37 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 benzyl N-[(1R,2S)-2-phenylselanylcyclohexyl]carbamate is sourced from PubChem (CID 10834125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).