tert-butyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-phenylcyclopentyl]-N-methylcarbamate

C18H27NO3 — CID 18345112

IUPACtert-butyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-phenylcyclopentyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1C[C@H](CO)[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H27NO3/c1-18(2,3)22-17(21)19(4)15-10-14(12-20)16(11-15)13-8-6-5-7-9-13/h5-9,14-16,20H,10-12H2,1-4H3/t14-,15-,16-/m1/s1
InChIKeyUTOXRIRBIYSRLB-BZUAXINKSA-N
MW305.42 g/mol
LogP3.41
Rot. Bonds3

About tert-butyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-phenylcyclopentyl]-N-methylcarbamate

tert-butyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-phenylcyclopentyl]-N-methylcarbamate (PubChem CID 18345112) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-phenylcyclopentyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-phenylcyclopentyl]-N-methylcarbamate
PubChem CID18345112
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Nametert-butyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-phenylcyclopentyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1C[C@H](CO)[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H27NO3/c1-18(2,3)22-17(21)19(4)15-10-14(12-20)16(11-15)13-8-6-5-7-9-13/h5-9,14-16,20H,10-12H2,1-4H3/t14-,15-,16-/m1/s1
InChIKeyUTOXRIRBIYSRLB-BZUAXINKSA-N
XLogP3.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 22982761
tert-butyl N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate
CID 91278962
tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486468
tert-butyl N-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate
CID 166765265
ethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc
CID 177478174
benzyl (1R,2R,4R)-2-(2,4-difluorophenyl)-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylate
CID 59134780
trans-benzyl (1R,2R)-2-(2,4-difluorophenyl)-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylate
CID 59134783
tert-butyl N-[3-(2-hydroxyethoxy)cyclobutyl]-N-methylcarbamate
CID 138695042
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[(E)-prop-1-enyl]carbamate
CID 134861468
tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 175940322
tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate
CID 172587185
tert-butyl N-(azetidin-3-ylmethyl)-N-[(2S)-2-phenylcyclopropyl]carbamate
CID 130199105

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-phenylcyclopentyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-phenylcyclopentyl]-N-methylcarbamate (CID 18345112) is tert-butyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-phenylcyclopentyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-phenylcyclopentyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-phenylcyclopentyl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)[C@@H]1C[C@H](CO)[C@@H](c2ccccc2)C1.
What is the InChIKey of tert-butyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-phenylcyclopentyl]-N-methylcarbamate?
The InChIKey is UTOXRIRBIYSRLB-BZUAXINKSA-N. The full InChI is InChI=1S/C18H27NO3/c1-18(2,3)22-17(21)19(4)15-10-14(12-20)16(11-15)13-8-6-5-7-9-13/h5-9,14-16,20H,10-12H2,1-4H3/t14-,15-,16-/m1/s1.
What are the key properties of tert-butyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-phenylcyclopentyl]-N-methylcarbamate?
tert-butyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-phenylcyclopentyl]-N-methylcarbamate has a molecular weight of 305.42 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-phenylcyclopentyl]-N-methylcarbamate is sourced from PubChem (CID 18345112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).