[2-[di(propan-2-yl)carbamoyloxy]cyclohexyl] N,N-di(propan-2-yl)carbamate

C20H38N2O4 — CID 118272308

IUPAC[2-[di(propan-2-yl)carbamoyloxy]cyclohexyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OC1CCCCC1OC(=O)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C20H38N2O4/c1-13(2)21(14(3)4)19(23)25-17-11-9-10-12-18(17)26-20(24)22(15(5)6)16(7)8/h13-18H,9-12H2,1-8H3
InChIKeyJSYZHSDUOWZLDP-UHFFFAOYSA-N
MW370.53 g/mol
LogP4.81
Rot. Bonds6

About [2-[di(propan-2-yl)carbamoyloxy]cyclohexyl] N,N-di(propan-2-yl)carbamate

[2-[di(propan-2-yl)carbamoyloxy]cyclohexyl] N,N-di(propan-2-yl)carbamate (PubChem CID 118272308) has the molecular formula C20H38N2O4 and a molecular weight of 370.53 g/mol. Its IUPAC name is [2-[di(propan-2-yl)carbamoyloxy]cyclohexyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[2-[di(propan-2-yl)carbamoyloxy]cyclohexyl] N,N-di(propan-2-yl)carbamate
PubChem CID118272308
Molecular FormulaC20H38N2O4
Molecular Weight370.53 g/mol
Exact Mass370.28
IUPAC Name[2-[di(propan-2-yl)carbamoyloxy]cyclohexyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OC1CCCCC1OC(=O)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C20H38N2O4/c1-13(2)21(14(3)4)19(23)25-17-11-9-10-12-18(17)26-20(24)22(15(5)6)16(7)8/h13-18H,9-12H2,1-8H3
InChIKeyJSYZHSDUOWZLDP-UHFFFAOYSA-N
XLogP4.81
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[di(propan-2-yl)carbamoyloxy]cyclohexyl] N,N-di(propan-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[di(propan-2-yl)carbamoyloxy]cyclohexyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [2-[di(propan-2-yl)carbamoyloxy]cyclohexyl] N,N-di(propan-2-yl)carbamate (CID 118272308) is [2-[di(propan-2-yl)carbamoyloxy]cyclohexyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [2-[di(propan-2-yl)carbamoyloxy]cyclohexyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [2-[di(propan-2-yl)carbamoyloxy]cyclohexyl] N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)OC1CCCCC1OC(=O)N(C(C)C)C(C)C)C(C)C.
What is the InChIKey of [2-[di(propan-2-yl)carbamoyloxy]cyclohexyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is JSYZHSDUOWZLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O4/c1-13(2)21(14(3)4)19(23)25-17-11-9-10-12-18(17)26-20(24)22(15(5)6)16(7)8/h13-18H,9-12H2,1-8H3.
What are the key properties of [2-[di(propan-2-yl)carbamoyloxy]cyclohexyl] N,N-di(propan-2-yl)carbamate?
[2-[di(propan-2-yl)carbamoyloxy]cyclohexyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 370.53 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[di(propan-2-yl)carbamoyloxy]cyclohexyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 118272308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).