tert-butyl N-[(2-methoxyacetyl)amino]-N-tetradecylcarbamate

C22H44N2O4 — CID 72545003

IUPACtert-butyl N-[(2-methoxyacetyl)amino]-N-tetradecylcarbamate
SMILESCCCCCCCCCCCCCCN(NC(=O)COC)C(=O)OC(C)(C)C
InChIInChI=1S/C22H44N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-24(23-20(25)19-27-5)21(26)28-22(2,3)4/h6-19H2,1-5H3,(H,23,25)
InChIKeyHWMAKEHQLDBIHD-UHFFFAOYSA-N
MW400.60 g/mol
LogP5.60
Rot. Bonds15

About tert-butyl N-[(2-methoxyacetyl)amino]-N-tetradecylcarbamate

tert-butyl N-[(2-methoxyacetyl)amino]-N-tetradecylcarbamate (PubChem CID 72545003) has the molecular formula C22H44N2O4 and a molecular weight of 400.60 g/mol. Its IUPAC name is tert-butyl N-[(2-methoxyacetyl)amino]-N-tetradecylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methoxyacetyl)amino]-N-tetradecylcarbamate
PubChem CID72545003
Molecular FormulaC22H44N2O4
Molecular Weight400.60 g/mol
Exact Mass400.33
IUPAC Nametert-butyl N-[(2-methoxyacetyl)amino]-N-tetradecylcarbamate
SMILESCCCCCCCCCCCCCCN(NC(=O)COC)C(=O)OC(C)(C)C
InChIInChI=1S/C22H44N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-24(23-20(25)19-27-5)21(26)28-22(2,3)4/h6-19H2,1-5H3,(H,23,25)
InChIKeyHWMAKEHQLDBIHD-UHFFFAOYSA-N
XLogP5.60
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.60
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2-methoxyacetyl)amino]-N-[(E)-tetradec-1-enyl]carbamate
CID 72544781
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(4-oxodecyl)carbamate
CID 132578614
tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 89457667
tert-butyl N,N-dipentylcarbamate
CID 65142743
methyl 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propanoate
CID 156850157
tert-butyl N-[2-[[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]methyl]nonyl]-N-pentylcarbamate
CID 142044544
tert-butyl 2-butyloctanoate
CID 141041345
tert-butyl N-[2-(octylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245800
tert-butyl 2-propyldecanoate
CID 141018568
tert-butyl 2-[propyl(undecyl)amino]acetate
CID 146733581
tert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate
CID 107242003
tert-butyl N-[5-(methylamino)pentyl]-N-propylcarbamate
CID 122608338

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methoxyacetyl)amino]-N-tetradecylcarbamate?
The IUPAC name of tert-butyl N-[(2-methoxyacetyl)amino]-N-tetradecylcarbamate (CID 72545003) is tert-butyl N-[(2-methoxyacetyl)amino]-N-tetradecylcarbamate.
What is the SMILES notation for tert-butyl N-[(2-methoxyacetyl)amino]-N-tetradecylcarbamate?
The canonical SMILES for tert-butyl N-[(2-methoxyacetyl)amino]-N-tetradecylcarbamate is CCCCCCCCCCCCCCN(NC(=O)COC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2-methoxyacetyl)amino]-N-tetradecylcarbamate?
The InChIKey is HWMAKEHQLDBIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-24(23-20(25)19-27-5)21(26)28-22(2,3)4/h6-19H2,1-5H3,(H,23,25).
What are the key properties of tert-butyl N-[(2-methoxyacetyl)amino]-N-tetradecylcarbamate?
tert-butyl N-[(2-methoxyacetyl)amino]-N-tetradecylcarbamate has a molecular weight of 400.60 g/mol, XLogP of 5.60, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methoxyacetyl)amino]-N-tetradecylcarbamate is sourced from PubChem (CID 72545003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).