tert-butyl N-[2-(cyclohexylcarbamoylamino)ethyl]carbamate

C14H27N3O3 — CID 11140668

IUPACtert-butyl N-[2-(cyclohexylcarbamoylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)NC1CCCCC1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)20-13(19)16-10-9-15-12(18)17-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,16,19)(H2,15,17,18)
InChIKeyFIBYRIOVWNSFAN-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.14
Rot. Bonds4

About tert-butyl N-[2-(cyclohexylcarbamoylamino)ethyl]carbamate

tert-butyl N-[2-(cyclohexylcarbamoylamino)ethyl]carbamate (PubChem CID 11140668) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl N-[2-(cyclohexylcarbamoylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(cyclohexylcarbamoylamino)ethyl]carbamate
PubChem CID11140668
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nametert-butyl N-[2-(cyclohexylcarbamoylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)NC1CCCCC1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)20-13(19)16-10-9-15-12(18)17-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,16,19)(H2,15,17,18)
InChIKeyFIBYRIOVWNSFAN-UHFFFAOYSA-N
XLogP2.14
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(cyclohexylcarbamoylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(cyclohexylcarbamoylamino)ethyl]carbamate (CID 11140668) is tert-butyl N-[2-(cyclohexylcarbamoylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(cyclohexylcarbamoylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(cyclohexylcarbamoylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)NC1CCCCC1.
What is the InChIKey of tert-butyl N-[2-(cyclohexylcarbamoylamino)ethyl]carbamate?
The InChIKey is FIBYRIOVWNSFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-14(2,3)20-13(19)16-10-9-15-12(18)17-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,16,19)(H2,15,17,18).
What are the key properties of tert-butyl N-[2-(cyclohexylcarbamoylamino)ethyl]carbamate?
tert-butyl N-[2-(cyclohexylcarbamoylamino)ethyl]carbamate has a molecular weight of 285.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(cyclohexylcarbamoylamino)ethyl]carbamate is sourced from PubChem (CID 11140668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).