[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

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Related Compounds

[(3S,6R)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N,N-di(propan-2-yl)carbamate
CID 10902255
cyclopentyl N-methyl-N-propan-2-ylcarbamate
CID 142239512
2-cyclohexylprop-1-enyl N,N-di(propan-2-yl)carbamate
CID 71378000
[(1S,2R)-2-carboxyoxycyclohexyl] hydrogen carbonate
CID 57178626
[2-(4-methylpentanoyloxy)cyclohexyl] 4-methylpentanoate
CID 24959020
[(1S,4S)-4-propan-2-ylcyclohex-2-en-1-yl] N,N-di(propan-2-yl)carbamate
CID 102471043
[(1R)-2-methoxycyclohexyl] acetate
CID 54050527
[(1S,2S)-2-methylcyclohexyl] (2R)-2-aminopropanoate
CID 70403752
[2-(4-methylpentoxycarbonyloxy)cyclohexyl] 4-methylpentyl carbonate
CID 23066370
[(1R,2R)-2-carboxyoxycyclopentyl] hydrogen carbonate
CID 66838370
2-[di(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 3791717
[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium
CID 86325429

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).