tert-butyl N-[2-[4-(2-hydroxyethoxy)cyclohexyl]ethyl]-N-methylcarbamate

C16H31NO4 — CID 23395979

IUPACtert-butyl N-[2-[4-(2-hydroxyethoxy)cyclohexyl]ethyl]-N-methylcarbamate
SMILESCN(CCC1CCC(OCCO)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO4/c1-16(2,3)21-15(19)17(4)10-9-13-5-7-14(8-6-13)20-12-11-18/h13-14,18H,5-12H2,1-4H3
InChIKeySSKNPWVIRHXWTE-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.81
Rot. Bonds6

About tert-butyl N-[2-[4-(2-hydroxyethoxy)cyclohexyl]ethyl]-N-methylcarbamate

tert-butyl N-[2-[4-(2-hydroxyethoxy)cyclohexyl]ethyl]-N-methylcarbamate (PubChem CID 23395979) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(2-hydroxyethoxy)cyclohexyl]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(2-hydroxyethoxy)cyclohexyl]ethyl]-N-methylcarbamate
PubChem CID23395979
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Nametert-butyl N-[2-[4-(2-hydroxyethoxy)cyclohexyl]ethyl]-N-methylcarbamate
SMILESCN(CCC1CCC(OCCO)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO4/c1-16(2,3)21-15(19)17(4)10-9-13-5-7-14(8-6-13)20-12-11-18/h13-14,18H,5-12H2,1-4H3
InChIKeySSKNPWVIRHXWTE-UHFFFAOYSA-N
XLogP2.81
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclohexyl]ethyl propanoate
CID 174476583
tert-butyl N-methyl-N-(2-piperidin-4-yloxyethyl)carbamate
CID 176578445
tert-butyl N-[3-[3-(hydroxymethyl)cyclobutyl]oxypropyl]-N-methylcarbamate
CID 167375585
tert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate
CID 53419825
tert-butyl N-[3-(2-hydroxyethoxy)cyclobutyl]-N-methylcarbamate
CID 138695042
tert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate
CID 91223647
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-methylcarbamate
CID 107245079
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate
CID 43187181
4-(2-hydroxyethoxy)-N,N-dimethylcyclohexane-1-carboxamide
CID 66730434
tert-butyl N-[4-(3-bromopropoxy)cyclohexyl]-N-methylcarbamate
CID 69199156
tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]ethyl]-N-methylcarbamate
CID 103921208

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(2-hydroxyethoxy)cyclohexyl]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[4-(2-hydroxyethoxy)cyclohexyl]ethyl]-N-methylcarbamate (CID 23395979) is tert-butyl N-[2-[4-(2-hydroxyethoxy)cyclohexyl]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(2-hydroxyethoxy)cyclohexyl]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[4-(2-hydroxyethoxy)cyclohexyl]ethyl]-N-methylcarbamate is CN(CCC1CCC(OCCO)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[4-(2-hydroxyethoxy)cyclohexyl]ethyl]-N-methylcarbamate?
The InChIKey is SSKNPWVIRHXWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4/c1-16(2,3)21-15(19)17(4)10-9-13-5-7-14(8-6-13)20-12-11-18/h13-14,18H,5-12H2,1-4H3.
What are the key properties of tert-butyl N-[2-[4-(2-hydroxyethoxy)cyclohexyl]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[4-(2-hydroxyethoxy)cyclohexyl]ethyl]-N-methylcarbamate has a molecular weight of 301.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(2-hydroxyethoxy)cyclohexyl]ethyl]-N-methylcarbamate is sourced from PubChem (CID 23395979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).