benzyl N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]carbamate

C19H26N2O3 — CID 142544483

IUPACbenzyl N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]carbamate
SMILESO=C(NC1CCC(N2CC3(COC3)C2)CC1)OCc1ccccc1
InChIInChI=1S/C19H26N2O3/c22-18(24-10-15-4-2-1-3-5-15)20-16-6-8-17(9-7-16)21-11-19(12-21)13-23-14-19/h1-5,16-17H,6-14H2,(H,20,22)
InChIKeyILYYMLWRFMYGRZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.56
Rot. Bonds4

About benzyl N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]carbamate

benzyl N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]carbamate (PubChem CID 142544483) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is benzyl N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]carbamate
PubChem CID142544483
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Namebenzyl N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]carbamate
SMILESO=C(NC1CCC(N2CC3(COC3)C2)CC1)OCc1ccccc1
InChIInChI=1S/C19H26N2O3/c22-18(24-10-15-4-2-1-3-5-15)20-16-6-8-17(9-7-16)21-11-19(12-21)13-23-14-19/h1-5,16-17H,6-14H2,(H,20,22)
InChIKeyILYYMLWRFMYGRZ-UHFFFAOYSA-N
XLogP2.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
CID 15932630
[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium
CID 86306720
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-[(3R)-3-[(1-cyclopropylpiperidin-4-yl)carbamoyl]oxolan-3-yl]carbamate
CID 97262042
benzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
CID 56965558
benzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate
CID 112545058
1-cyclobutyl-5-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
CID 112545077
benzyl N-(1,4-dioxepan-6-yl)carbamate
CID 131219269
benzyl 3-(phenylmethoxycarbonylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171936899
benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]carbamate?
The IUPAC name of benzyl N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]carbamate (CID 142544483) is benzyl N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]carbamate?
The canonical SMILES for benzyl N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]carbamate is O=C(NC1CCC(N2CC3(COC3)C2)CC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]carbamate?
The InChIKey is ILYYMLWRFMYGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-18(24-10-15-4-2-1-3-5-15)20-16-6-8-17(9-7-16)21-11-19(12-21)13-23-14-19/h1-5,16-17H,6-14H2,(H,20,22).
What are the key properties of benzyl N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]carbamate?
benzyl N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]carbamate has a molecular weight of 330.43 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]carbamate is sourced from PubChem (CID 142544483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).