tert-butyl N-(cyclododecanecarbonylamino)carbamate

C18H34N2O3 — CID 175503254

IUPACtert-butyl N-(cyclododecanecarbonylamino)carbamate
SMILESCC(C)(C)OC(=O)NNC(=O)C1CCCCCCCCCCC1
InChIInChI=1S/C18H34N2O3/c1-18(2,3)23-17(22)20-19-16(21)15-13-11-9-7-5-4-6-8-10-12-14-15/h15H,4-14H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyOLDTZXMHEYEQTB-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.46
Rot. Bonds1

About tert-butyl N-(cyclododecanecarbonylamino)carbamate

tert-butyl N-(cyclododecanecarbonylamino)carbamate (PubChem CID 175503254) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl N-(cyclododecanecarbonylamino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(cyclododecanecarbonylamino)carbamate
PubChem CID175503254
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl N-(cyclododecanecarbonylamino)carbamate
SMILESCC(C)(C)OC(=O)NNC(=O)C1CCCCCCCCCCC1
InChIInChI=1S/C18H34N2O3/c1-18(2,3)23-17(22)20-19-16(21)15-13-11-9-7-5-4-6-8-10-12-14-15/h15H,4-14H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyOLDTZXMHEYEQTB-UHFFFAOYSA-N
XLogP4.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(cyclododecylamino)carbamate
CID 107236860
tert-butyl 3-[(cyclobutanecarbonylamino)carbamoyl]azetidine-1-carboxylate
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tert-butyl N-(cyclohexylmethylamino)carbamate;ethane
CID 143072952
tert-butyl N-[(2-cyclohexylacetyl)amino]carbamate
CID 17369174
tert-butyl N-[5-[2-[2-[5-(cyclohexanecarbonylamino)pentoxy]ethoxy]ethoxy]pentyl]carbamate
CID 142616129
tert-butyl cyclododecanecarboxylate
CID 154013086
tert-butyl 2-(cyclopentanecarbonylamino)acetate
CID 123696523
N'-hydroxycyclohexanecarbohydrazide
CID 151692012
tert-butyl N-[3-[3-(cyclohexanecarbonylamino)propylamino]-3-oxopropyl]carbamate
CID 108921552
tert-butyl (2S)-2-(acetamidocarbamoyl)piperidine-1-carboxylate
CID 131748452
tert-butyl 2-cyclooctyl-2-oxoacetate
CID 141407895
N'-(3-methoxycyclobutanecarbonyl)cyclohexanecarbohydrazide
CID 164710930

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(cyclododecanecarbonylamino)carbamate?
The IUPAC name of tert-butyl N-(cyclododecanecarbonylamino)carbamate (CID 175503254) is tert-butyl N-(cyclododecanecarbonylamino)carbamate.
What is the SMILES notation for tert-butyl N-(cyclododecanecarbonylamino)carbamate?
The canonical SMILES for tert-butyl N-(cyclododecanecarbonylamino)carbamate is CC(C)(C)OC(=O)NNC(=O)C1CCCCCCCCCCC1.
What is the InChIKey of tert-butyl N-(cyclododecanecarbonylamino)carbamate?
The InChIKey is OLDTZXMHEYEQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-18(2,3)23-17(22)20-19-16(21)15-13-11-9-7-5-4-6-8-10-12-14-15/h15H,4-14H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of tert-butyl N-(cyclododecanecarbonylamino)carbamate?
tert-butyl N-(cyclododecanecarbonylamino)carbamate has a molecular weight of 326.48 g/mol, XLogP of 4.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(cyclododecanecarbonylamino)carbamate is sourced from PubChem (CID 175503254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).