tert-butyl N-[4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclohexyl]carbamate

C23H33NO2 — CID 147490959

IUPACtert-butyl N-[4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(CC2CC23CCc2ccccc23)CC1
InChIInChI=1S/C23H33NO2/c1-22(2,3)26-21(25)24-19-10-8-16(9-11-19)14-18-15-23(18)13-12-17-6-4-5-7-20(17)23/h4-7,16,18-19H,8-15H2,1-3H3,(H,24,25)
InChIKeyFFNACZZXEYWDBD-UHFFFAOYSA-N
MW355.52 g/mol
LogP5.36
Rot. Bonds3

About tert-butyl N-[4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclohexyl]carbamate

tert-butyl N-[4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclohexyl]carbamate (PubChem CID 147490959) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is tert-butyl N-[4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclohexyl]carbamate
PubChem CID147490959
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC Nametert-butyl N-[4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(CC2CC23CCc2ccccc23)CC1
InChIInChI=1S/C23H33NO2/c1-22(2,3)26-21(25)24-19-10-8-16(9-11-19)14-18-15-23(18)13-12-17-6-4-5-7-20(17)23/h4-7,16,18-19H,8-15H2,1-3H3,(H,24,25)
InChIKeyFFNACZZXEYWDBD-UHFFFAOYSA-N
XLogP5.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.52
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97050624
tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane
CID 91059787
tert-butyl 4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate
CID 138657322
tert-butyl 4-[[4-(2-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate
CID 158582783
3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)oxetane
CID 153095683
tert-butyl N-[4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexyl]carbamate
CID 23298141
tert-butyl 4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate
CID 122463512
tert-butyl N-(4-hydroxy-4-phenylcyclohexyl)carbamate
CID 142554256
tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate
CID 107849928
tert-butyl N-(4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)carbamate
CID 130120349
tert-butyl N-[4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate
CID 77144961

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclohexyl]carbamate (CID 147490959) is tert-butyl N-[4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(CC2CC23CCc2ccccc23)CC1.
What is the InChIKey of tert-butyl N-[4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclohexyl]carbamate?
The InChIKey is FFNACZZXEYWDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2/c1-22(2,3)26-21(25)24-19-10-8-16(9-11-19)14-18-15-23(18)13-12-17-6-4-5-7-20(17)23/h4-7,16,18-19H,8-15H2,1-3H3,(H,24,25).
What are the key properties of tert-butyl N-[4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclohexyl]carbamate?
tert-butyl N-[4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclohexyl]carbamate has a molecular weight of 355.52 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclohexyl]carbamate is sourced from PubChem (CID 147490959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).