propan-2-ylcarbamoyl N-cyclohexylcarbamate

C11H20N2O3 — CID 154236264

IUPACpropan-2-ylcarbamoyl N-cyclohexylcarbamate
SMILESCC(C)NC(=O)OC(=O)NC1CCCCC1
InChIInChI=1S/C11H20N2O3/c1-8(2)12-10(14)16-11(15)13-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyGYTDYFFRRMNGJB-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.16
Rot. Bonds2

About propan-2-ylcarbamoyl N-cyclohexylcarbamate

propan-2-ylcarbamoyl N-cyclohexylcarbamate (PubChem CID 154236264) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is propan-2-ylcarbamoyl N-cyclohexylcarbamate.

Molecular Properties

Compound Namepropan-2-ylcarbamoyl N-cyclohexylcarbamate
PubChem CID154236264
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namepropan-2-ylcarbamoyl N-cyclohexylcarbamate
SMILESCC(C)NC(=O)OC(=O)NC1CCCCC1
InChIInChI=1S/C11H20N2O3/c1-8(2)12-10(14)16-11(15)13-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyGYTDYFFRRMNGJB-UHFFFAOYSA-N
XLogP2.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl N-cyclooctylcarbamate
CID 116653938
methyl N-cyclohexadecylcarbamate
CID 131977131
3-methylbutyl N-cyclohexylcarbamate
CID 86243713
1-bromopropan-2-yl N-cyclohexylcarbamate
CID 103970804
N-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide
CID 112994995
N-cyclododecylpropanamide
CID 2784600
N-cyclooctylpropanamide
CID 3387497
N-cyclodecylpropanamide
CID 122483649
1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050479
N-cyclopentyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43402010
cyclopentylcarbamoperoxoic acid
CID 143557914
N-cyclohexyl-2-silylpropanamide
CID 123581134

Frequently Asked Questions

What is the IUPAC name of propan-2-ylcarbamoyl N-cyclohexylcarbamate?
The IUPAC name of propan-2-ylcarbamoyl N-cyclohexylcarbamate (CID 154236264) is propan-2-ylcarbamoyl N-cyclohexylcarbamate.
What is the SMILES notation for propan-2-ylcarbamoyl N-cyclohexylcarbamate?
The canonical SMILES for propan-2-ylcarbamoyl N-cyclohexylcarbamate is CC(C)NC(=O)OC(=O)NC1CCCCC1.
What is the InChIKey of propan-2-ylcarbamoyl N-cyclohexylcarbamate?
The InChIKey is GYTDYFFRRMNGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)12-10(14)16-11(15)13-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of propan-2-ylcarbamoyl N-cyclohexylcarbamate?
propan-2-ylcarbamoyl N-cyclohexylcarbamate has a molecular weight of 228.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylcarbamoyl N-cyclohexylcarbamate is sourced from PubChem (CID 154236264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).