[1-(cyclohexylmethylcarbamoyloxy)-2-methylpropyl] cyclohexanecarboxylate

C19H33NO4 — CID 68568677

IUPAC[1-(cyclohexylmethylcarbamoyloxy)-2-methylpropyl] cyclohexanecarboxylate
SMILESCC(C)C(OC(=O)NCC1CCCCC1)OC(=O)C1CCCCC1
InChIInChI=1S/C19H33NO4/c1-14(2)18(23-17(21)16-11-7-4-8-12-16)24-19(22)20-13-15-9-5-3-6-10-15/h14-16,18H,3-13H2,1-2H3,(H,20,22)
InChIKeyODFUXPMOXUMZHT-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.40
Rot. Bonds6

About [1-(cyclohexylmethylcarbamoyloxy)-2-methylpropyl] cyclohexanecarboxylate

[1-(cyclohexylmethylcarbamoyloxy)-2-methylpropyl] cyclohexanecarboxylate (PubChem CID 68568677) has the molecular formula C19H33NO4 and a molecular weight of 339.48 g/mol. Its IUPAC name is [1-(cyclohexylmethylcarbamoyloxy)-2-methylpropyl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[1-(cyclohexylmethylcarbamoyloxy)-2-methylpropyl] cyclohexanecarboxylate
PubChem CID68568677
Molecular FormulaC19H33NO4
Molecular Weight339.48 g/mol
Exact Mass339.24
IUPAC Name[1-(cyclohexylmethylcarbamoyloxy)-2-methylpropyl] cyclohexanecarboxylate
SMILESCC(C)C(OC(=O)NCC1CCCCC1)OC(=O)C1CCCCC1
InChIInChI=1S/C19H33NO4/c1-14(2)18(23-17(21)16-11-7-4-8-12-16)24-19(22)20-13-15-9-5-3-6-10-15/h14-16,18H,3-13H2,1-2H3,(H,20,22)
InChIKeyODFUXPMOXUMZHT-UHFFFAOYSA-N
XLogP4.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[[1-(cyclohexanecarbonyloxy)-2-methylpropoxy]carbonylamino]cyclopropane-1-carboxylic acid
CID 24798407
[cyclohexyl(cyclohexylmethylcarbamoyloxy)methyl] 2-methylpropanoate
CID 68568734
4-[[[2-methyl-1-(2-methylpropoxy)propoxy]carbonylamino]methyl]cyclohexane-1-carboxylic acid
CID 174548549
acetic acid;1-(cyclohexylmethylcarbamoyloxy)propyl acetate
CID 68798909
sodium;[1-[[1-(4-chlorophenoxy)-1-oxobutan-2-yl]carbamoyloxy]-2-methylpropyl] cyclohexanecarboxylate;hydride
CID 173194013
2,6,8-trihydroxynonan-4-yl N-(cyclopentylmethyl)carbamate
CID 59928754
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
1-[2-[1-(cyclohexanecarbonyloxy)ethoxycarbonylsulfanyl]ethylcarbamoyloxy]ethyl cyclohexanecarboxylate
CID 126713758
1-(cyclohexylmethylcarbamoyloxy)propyl butanoate
CID 68569190
1-(cyclopentylmethyl)-3-propan-2-ylurea
CID 84521639
N-(cyclopentylmethyl)-2-methylpropanamide;ethane
CID 176960669

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethylcarbamoyloxy)-2-methylpropyl] cyclohexanecarboxylate?
The IUPAC name of [1-(cyclohexylmethylcarbamoyloxy)-2-methylpropyl] cyclohexanecarboxylate (CID 68568677) is [1-(cyclohexylmethylcarbamoyloxy)-2-methylpropyl] cyclohexanecarboxylate.
What is the SMILES notation for [1-(cyclohexylmethylcarbamoyloxy)-2-methylpropyl] cyclohexanecarboxylate?
The canonical SMILES for [1-(cyclohexylmethylcarbamoyloxy)-2-methylpropyl] cyclohexanecarboxylate is CC(C)C(OC(=O)NCC1CCCCC1)OC(=O)C1CCCCC1.
What is the InChIKey of [1-(cyclohexylmethylcarbamoyloxy)-2-methylpropyl] cyclohexanecarboxylate?
The InChIKey is ODFUXPMOXUMZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO4/c1-14(2)18(23-17(21)16-11-7-4-8-12-16)24-19(22)20-13-15-9-5-3-6-10-15/h14-16,18H,3-13H2,1-2H3,(H,20,22).
What are the key properties of [1-(cyclohexylmethylcarbamoyloxy)-2-methylpropyl] cyclohexanecarboxylate?
[1-(cyclohexylmethylcarbamoyloxy)-2-methylpropyl] cyclohexanecarboxylate has a molecular weight of 339.48 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethylcarbamoyloxy)-2-methylpropyl] cyclohexanecarboxylate is sourced from PubChem (CID 68568677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).