tert-butyl N-[1-(3-formamidospiro[7,8-dihydro-6H-naphthalene-5,1'-cyclohexane]-2-yl)-3-hydroxypropan-2-yl]carbamate

C24H36N2O4 — CID 10811847

IUPACtert-butyl N-[1-(3-formamidospiro[7,8-dihydro-6H-naphthalene-5,1'-cyclohexane]-2-yl)-3-hydroxypropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CO)Cc1cc2c(cc1NC=O)C1(CCCCC1)CCC2
InChIInChI=1S/C24H36N2O4/c1-23(2,3)30-22(29)26-19(15-27)13-18-12-17-8-7-11-24(9-5-4-6-10-24)20(17)14-21(18)25-16-28/h12,14,16,19,27H,4-11,13,15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeySOEOJNJAURKUOY-UHFFFAOYSA-N
MW416.56 g/mol
LogP4.22
Rot. Bonds6

About tert-butyl N-[1-(3-formamidospiro[7,8-dihydro-6H-naphthalene-5,1'-cyclohexane]-2-yl)-3-hydroxypropan-2-yl]carbamate

tert-butyl N-[1-(3-formamidospiro[7,8-dihydro-6H-naphthalene-5,1'-cyclohexane]-2-yl)-3-hydroxypropan-2-yl]carbamate (PubChem CID 10811847) has the molecular formula C24H36N2O4 and a molecular weight of 416.56 g/mol. Its IUPAC name is tert-butyl N-[1-(3-formamidospiro[7,8-dihydro-6H-naphthalene-5,1'-cyclohexane]-2-yl)-3-hydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-formamidospiro[7,8-dihydro-6H-naphthalene-5,1'-cyclohexane]-2-yl)-3-hydroxypropan-2-yl]carbamate
PubChem CID10811847
Molecular FormulaC24H36N2O4
Molecular Weight416.56 g/mol
Exact Mass416.27
IUPAC Nametert-butyl N-[1-(3-formamidospiro[7,8-dihydro-6H-naphthalene-5,1'-cyclohexane]-2-yl)-3-hydroxypropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CO)Cc1cc2c(cc1NC=O)C1(CCCCC1)CCC2
InChIInChI=1S/C24H36N2O4/c1-23(2,3)30-22(29)26-19(15-27)13-18-12-17-8-7-11-24(9-5-4-6-10-24)20(17)14-21(18)25-16-28/h12,14,16,19,27H,4-11,13,15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeySOEOJNJAURKUOY-UHFFFAOYSA-N
XLogP4.22
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitrospiro[7,8-dihydro-6H-naphthalene-5,1'-cyclohexane]-2-yl)propanoate
CID 10742639
tert-butyl N-[1-(5-decyl-2-formamidophenyl)-3-hydroxypropan-2-yl]carbamate
CID 10788974
tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate
CID 59383028
tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate
CID 51669789
tert-butyl N-[1-hydroxy-4-(1-methylcyclobutyl)butan-2-yl]carbamate
CID 170168856
tert-butyl N-[(2S)-1-(1-benzofuran-3-yl)-3-hydroxypropan-2-yl]carbamate
CID 140937790
tert-butyl N-[(2S)-1-(3-fluoro-4-hydroxyphenyl)-3-hydroxypropan-2-yl]carbamate
CID 70032049
tert-butyl N-[(2R)-1-(4-cyano-2-methoxyphenyl)-3-hydroxypropan-2-yl]carbamate
CID 129196909
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818
tert-butyl N-(1,5-dihydroxypentan-2-yl)carbamate;cyclopropane
CID 176970669
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
(2R)-3-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 167742435

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-formamidospiro[7,8-dihydro-6H-naphthalene-5,1'-cyclohexane]-2-yl)-3-hydroxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-formamidospiro[7,8-dihydro-6H-naphthalene-5,1'-cyclohexane]-2-yl)-3-hydroxypropan-2-yl]carbamate (CID 10811847) is tert-butyl N-[1-(3-formamidospiro[7,8-dihydro-6H-naphthalene-5,1'-cyclohexane]-2-yl)-3-hydroxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-formamidospiro[7,8-dihydro-6H-naphthalene-5,1'-cyclohexane]-2-yl)-3-hydroxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-formamidospiro[7,8-dihydro-6H-naphthalene-5,1'-cyclohexane]-2-yl)-3-hydroxypropan-2-yl]carbamate is CC(C)(C)OC(=O)NC(CO)Cc1cc2c(cc1NC=O)C1(CCCCC1)CCC2.
What is the InChIKey of tert-butyl N-[1-(3-formamidospiro[7,8-dihydro-6H-naphthalene-5,1'-cyclohexane]-2-yl)-3-hydroxypropan-2-yl]carbamate?
The InChIKey is SOEOJNJAURKUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O4/c1-23(2,3)30-22(29)26-19(15-27)13-18-12-17-8-7-11-24(9-5-4-6-10-24)20(17)14-21(18)25-16-28/h12,14,16,19,27H,4-11,13,15H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of tert-butyl N-[1-(3-formamidospiro[7,8-dihydro-6H-naphthalene-5,1'-cyclohexane]-2-yl)-3-hydroxypropan-2-yl]carbamate?
tert-butyl N-[1-(3-formamidospiro[7,8-dihydro-6H-naphthalene-5,1'-cyclohexane]-2-yl)-3-hydroxypropan-2-yl]carbamate has a molecular weight of 416.56 g/mol, XLogP of 4.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-formamidospiro[7,8-dihydro-6H-naphthalene-5,1'-cyclohexane]-2-yl)-3-hydroxypropan-2-yl]carbamate is sourced from PubChem (CID 10811847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).