tert-butyl N-methyl-N-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]carbamate

C22H41NO5 — CID 166800863

IUPACtert-butyl N-methyl-N-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCC1CC2CCCC(OCCOCCOCCN(C)C(=O)OC(C)(C)C)(C1)C2
InChIInChI=1S/C22H41NO5/c1-18-15-19-7-6-8-22(16-18,17-19)27-14-13-26-12-11-25-10-9-23(5)20(24)28-21(2,3)4/h18-19H,6-17H2,1-5H3
InChIKeyMUYUEDBPFNNOHT-UHFFFAOYSA-N
MW399.57 g/mol
LogP4.26
Rot. Bonds10

About tert-butyl N-methyl-N-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]carbamate

tert-butyl N-methyl-N-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 166800863) has the molecular formula C22H41NO5 and a molecular weight of 399.57 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]carbamate
PubChem CID166800863
Molecular FormulaC22H41NO5
Molecular Weight399.57 g/mol
Exact Mass399.30
IUPAC Nametert-butyl N-methyl-N-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCC1CC2CCCC(OCCOCCOCCN(C)C(=O)OC(C)(C)C)(C1)C2
InChIInChI=1S/C22H41NO5/c1-18-15-19-7-6-8-22(16-18,17-19)27-14-13-26-12-11-25-10-9-23(5)20(24)28-21(2,3)4/h18-19H,6-17H2,1-5H3
InChIKeyMUYUEDBPFNNOHT-UHFFFAOYSA-N
XLogP4.26
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.57
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-methyl-N-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate
CID 178173815
3-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]propanoic acid
CID 170906120
2-[2-[2-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 139578947
1-adamantyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 10947715
tert-butyl N-[(1R)-1-[2-(2-hydroxyethoxy)ethoxy]-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;formonitrile
CID 164595630
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
tert-butyl N-methyl-N-[4-(2-methylcyclopropyl)-3-oxobutyl]carbamate
CID 165471531
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-methylcarbamate
CID 107245079
tert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate
CID 103698950
tert-butyl N-methyl-N-[2-[2-[2-[5-methyl-5-(methyldisulfanyl)hexoxy]ethoxy]ethoxy]ethyl]carbamate
CID 159167986
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylpropanoate
CID 137320757
tert-butyl N-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl]-N-methylcarbamate
CID 158067322

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]carbamate (CID 166800863) is tert-butyl N-methyl-N-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]carbamate is CC1CC2CCCC(OCCOCCOCCN(C)C(=O)OC(C)(C)C)(C1)C2.
What is the InChIKey of tert-butyl N-methyl-N-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is MUYUEDBPFNNOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO5/c1-18-15-19-7-6-8-22(16-18,17-19)27-14-13-26-12-11-25-10-9-23(5)20(24)28-21(2,3)4/h18-19H,6-17H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 399.57 g/mol, XLogP of 4.26, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 166800863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).