tert-butyl N-[4-[(2-methoxyacetyl)amino]cyclohexyl]carbamate

C14H26N2O4 — CID 86277407

IUPACtert-butyl N-[4-[(2-methoxyacetyl)amino]cyclohexyl]carbamate
SMILESCOCC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O4/c1-14(2,3)20-13(18)16-11-7-5-10(6-8-11)15-12(17)9-19-4/h10-11H,5-9H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyVVIXHANHYXVDID-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.58
Rot. Bonds4

About tert-butyl N-[4-[(2-methoxyacetyl)amino]cyclohexyl]carbamate

tert-butyl N-[4-[(2-methoxyacetyl)amino]cyclohexyl]carbamate (PubChem CID 86277407) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl N-[4-[(2-methoxyacetyl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(2-methoxyacetyl)amino]cyclohexyl]carbamate
PubChem CID86277407
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl N-[4-[(2-methoxyacetyl)amino]cyclohexyl]carbamate
SMILESCOCC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O4/c1-14(2,3)20-13(18)16-11-7-5-10(6-8-11)15-12(17)9-19-4/h10-11H,5-9H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyVVIXHANHYXVDID-UHFFFAOYSA-N
XLogP1.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(2-methoxyacetyl)amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(2-methoxyacetyl)amino]cyclohexyl]carbamate (CID 86277407) is tert-butyl N-[4-[(2-methoxyacetyl)amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(2-methoxyacetyl)amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(2-methoxyacetyl)amino]cyclohexyl]carbamate is COCC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[(2-methoxyacetyl)amino]cyclohexyl]carbamate?
The InChIKey is VVIXHANHYXVDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-14(2,3)20-13(18)16-11-7-5-10(6-8-11)15-12(17)9-19-4/h10-11H,5-9H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of tert-butyl N-[4-[(2-methoxyacetyl)amino]cyclohexyl]carbamate?
tert-butyl N-[4-[(2-methoxyacetyl)amino]cyclohexyl]carbamate has a molecular weight of 286.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(2-methoxyacetyl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 86277407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).