tert-butyl N-[(1S,2R)-2-[(1-methylcyclobutyl)methylcarbamoyl]cyclooctyl]carbamate

C20H36N2O3 — CID 168782686

IUPACtert-butyl N-[(1S,2R)-2-[(1-methylcyclobutyl)methylcarbamoyl]cyclooctyl]carbamate
SMILESCC1(CNC(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C20H36N2O3/c1-19(2,3)25-18(24)22-16-11-8-6-5-7-10-15(16)17(23)21-14-20(4)12-9-13-20/h15-16H,5-14H2,1-4H3,(H,21,23)(H,22,24)/t15-,16+/m1/s1
InChIKeyJQVBENSMAJVQPM-CVEARBPZSA-N
MW352.52 g/mol
LogP4.16
Rot. Bonds4

About tert-butyl N-[(1S,2R)-2-[(1-methylcyclobutyl)methylcarbamoyl]cyclooctyl]carbamate

tert-butyl N-[(1S,2R)-2-[(1-methylcyclobutyl)methylcarbamoyl]cyclooctyl]carbamate (PubChem CID 168782686) has the molecular formula C20H36N2O3 and a molecular weight of 352.52 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-[(1-methylcyclobutyl)methylcarbamoyl]cyclooctyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R)-2-[(1-methylcyclobutyl)methylcarbamoyl]cyclooctyl]carbamate
PubChem CID168782686
Molecular FormulaC20H36N2O3
Molecular Weight352.52 g/mol
Exact Mass352.27
IUPAC Nametert-butyl N-[(1S,2R)-2-[(1-methylcyclobutyl)methylcarbamoyl]cyclooctyl]carbamate
SMILESCC1(CNC(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C20H36N2O3/c1-19(2,3)25-18(24)22-16-11-8-6-5-7-10-15(16)17(23)21-14-20(4)12-9-13-20/h15-16H,5-14H2,1-4H3,(H,21,23)(H,22,24)/t15-,16+/m1/s1
InChIKeyJQVBENSMAJVQPM-CVEARBPZSA-N
XLogP4.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1S,2R)-2-[(1-methylcyclobutyl)methylcarbamoyl]cyclooctyl]carbamate with MolForge

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Related Compounds

cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid
CID 17039480
tert-butyl N-[(1R,2S,3R,4S)-3-[(1-methylcyclobutyl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptan-2-yl]carbamate
CID 163395483
tert-butyl N-[(1R,2S)-2-(propan-2-ylcarbamoyl)cycloheptyl]carbamate
CID 95975128
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283
tert-butyl N-[3-[(1-methylcyclobutyl)methylcarbamoyl]-2-bicyclo[2.2.1]hept-5-enyl]carbamate
CID 167111093
tert-butyl N-[(1R,2S)-2-[[4-(hydroxymethyl)cyclohexyl]carbamoyl]cycloheptyl]carbamate
CID 99629367
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 20614154
tert-butyl N-[2-(2-bromoacetyl)cyclohexyl]carbamate
CID 104701400
tert-butyl N-[4-[(1-methylcyclohexyl)methylamino]cyclohexyl]carbamate
CID 103949089
2-methyl-N-[(1-methylcyclobutyl)methyl]cyclopropane-1-carboxamide
CID 130727562
tert-butyl N-[2-(2-chloroacetyl)cyclopentyl]carbamate
CID 104701394
tert-butyl N-[(1S,2R)-2-formylcycloheptyl]carbamate
CID 87517913

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R)-2-[(1-methylcyclobutyl)methylcarbamoyl]cyclooctyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2R)-2-[(1-methylcyclobutyl)methylcarbamoyl]cyclooctyl]carbamate (CID 168782686) is tert-butyl N-[(1S,2R)-2-[(1-methylcyclobutyl)methylcarbamoyl]cyclooctyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2R)-2-[(1-methylcyclobutyl)methylcarbamoyl]cyclooctyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2R)-2-[(1-methylcyclobutyl)methylcarbamoyl]cyclooctyl]carbamate is CC1(CNC(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)CCC1.
What is the InChIKey of tert-butyl N-[(1S,2R)-2-[(1-methylcyclobutyl)methylcarbamoyl]cyclooctyl]carbamate?
The InChIKey is JQVBENSMAJVQPM-CVEARBPZSA-N. The full InChI is InChI=1S/C20H36N2O3/c1-19(2,3)25-18(24)22-16-11-8-6-5-7-10-15(16)17(23)21-14-20(4)12-9-13-20/h15-16H,5-14H2,1-4H3,(H,21,23)(H,22,24)/t15-,16+/m1/s1.
What are the key properties of tert-butyl N-[(1S,2R)-2-[(1-methylcyclobutyl)methylcarbamoyl]cyclooctyl]carbamate?
tert-butyl N-[(1S,2R)-2-[(1-methylcyclobutyl)methylcarbamoyl]cyclooctyl]carbamate has a molecular weight of 352.52 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R)-2-[(1-methylcyclobutyl)methylcarbamoyl]cyclooctyl]carbamate is sourced from PubChem (CID 168782686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).