tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C22H43NO4 — CID 89457667

IUPACtert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCCCCCCCCCCCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C22H43NO4/c1-8-9-10-11-12-13-14-15-16-17-18-23(19(24)26-21(2,3)4)20(25)27-22(5,6)7/h8-18H2,1-7H3
InChIKeyJCNHXQDMMQQREE-UHFFFAOYSA-N
MW385.59 g/mol
LogP7.08
Rot. Bonds11

About tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 89457667) has the molecular formula C22H43NO4 and a molecular weight of 385.59 g/mol. Its IUPAC name is tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID89457667
Molecular FormulaC22H43NO4
Molecular Weight385.59 g/mol
Exact Mass385.32
IUPAC Nametert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCCCCCCCCCCCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C22H43NO4/c1-8-9-10-11-12-13-14-15-16-17-18-23(19(24)26-21(2,3)4)20(25)27-22(5,6)7/h8-18H2,1-7H3
InChIKeyJCNHXQDMMQQREE-UHFFFAOYSA-N
XLogP7.08
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.59
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(6-bromohexyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 10738534
tert-butyl N,N-dipentylcarbamate
CID 65142743
5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl tert-butyl carbonate
CID 23729656
N-acetyl-N-decylacetamide
CID 57029087
tert-butyl N-[2-[[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]methyl]nonyl]-N-pentylcarbamate
CID 142044544
tert-butyl N-hexyl-N-phenylcarbamate
CID 135064745
tert-butyl N-octadecyl-N-phenylcarbamate
CID 174455229
tert-butyl N-[3-(2-hydroxyethoxy)propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121383579
tert-butyl hydrogen carbonate;octane
CID 174792423
tert-butyl N-[(2-methoxyacetyl)amino]-N-tetradecylcarbamate
CID 72545003
tert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate
CID 107242003
tert-butyl 2-[propyl(undecyl)amino]acetate
CID 146733581

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 89457667) is tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CCCCCCCCCCCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is JCNHXQDMMQQREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO4/c1-8-9-10-11-12-13-14-15-16-17-18-23(19(24)26-21(2,3)4)20(25)27-22(5,6)7/h8-18H2,1-7H3.
What are the key properties of tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 385.59 g/mol, XLogP of 7.08, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 89457667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).