tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(4-oxodecyl)carbamate

C20H38N2O5 — CID 132578614

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(4-oxodecyl)carbamate
SMILESCCCCCCC(=O)CCCN(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C20H38N2O5/c1-8-9-10-11-13-16(23)14-12-15-22(18(25)27-20(5,6)7)21-17(24)26-19(2,3)4/h8-15H2,1-7H3,(H,21,24)
InChIKeyINQLQHHRNPECCU-UHFFFAOYSA-N
MW386.53 g/mol
LogP4.98
Rot. Bonds9

About tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(4-oxodecyl)carbamate

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(4-oxodecyl)carbamate (PubChem CID 132578614) has the molecular formula C20H38N2O5 and a molecular weight of 386.53 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(4-oxodecyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(4-oxodecyl)carbamate
PubChem CID132578614
Molecular FormulaC20H38N2O5
Molecular Weight386.53 g/mol
Exact Mass386.28
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(4-oxodecyl)carbamate
SMILESCCCCCCC(=O)CCCN(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C20H38N2O5/c1-8-9-10-11-13-16(23)14-12-15-22(18(25)27-20(5,6)7)21-17(24)26-19(2,3)4/h8-15H2,1-7H3,(H,21,24)
InChIKeyINQLQHHRNPECCU-UHFFFAOYSA-N
XLogP4.98
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-tetradecylcarbamate
CID 72545003
tert-butyl N-[4-(4-fluorophenyl)-4-oxobutyl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 132578609
tert-butyl 6-oxotetradecanoate
CID 134901927
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(4-oxo-4-thiophen-2-ylbutyl)carbamate
CID 132578613
tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 89457667
[(2-methylpropan-2-yl)oxycarbonylamino] hexadecanoate
CID 57188346
tert-butyl N-(5-oxoheptyl)-N-propylcarbamate
CID 89128098
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
tert-butyl N,N-dipentylcarbamate
CID 65142743
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(4-oxodecyl)carbamate?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(4-oxodecyl)carbamate (CID 132578614) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(4-oxodecyl)carbamate.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(4-oxodecyl)carbamate?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(4-oxodecyl)carbamate is CCCCCCC(=O)CCCN(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(4-oxodecyl)carbamate?
The InChIKey is INQLQHHRNPECCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O5/c1-8-9-10-11-13-16(23)14-12-15-22(18(25)27-20(5,6)7)21-17(24)26-19(2,3)4/h8-15H2,1-7H3,(H,21,24).
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(4-oxodecyl)carbamate?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(4-oxodecyl)carbamate has a molecular weight of 386.53 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(4-oxodecyl)carbamate is sourced from PubChem (CID 132578614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).