[cyclohexyl(cyclohexylmethylcarbamoyloxy)methyl] 2-methylpropanoate

C19H33NO4 — CID 68568734

IUPAC[cyclohexyl(cyclohexylmethylcarbamoyloxy)methyl] 2-methylpropanoate
SMILESCC(C)C(=O)OC(OC(=O)NCC1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H33NO4/c1-14(2)17(21)23-18(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)
InChIKeyCXPNIEGUQFDANR-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.40
Rot. Bonds6

About [cyclohexyl(cyclohexylmethylcarbamoyloxy)methyl] 2-methylpropanoate

[cyclohexyl(cyclohexylmethylcarbamoyloxy)methyl] 2-methylpropanoate (PubChem CID 68568734) has the molecular formula C19H33NO4 and a molecular weight of 339.48 g/mol. Its IUPAC name is [cyclohexyl(cyclohexylmethylcarbamoyloxy)methyl] 2-methylpropanoate.

Molecular Properties

Compound Name[cyclohexyl(cyclohexylmethylcarbamoyloxy)methyl] 2-methylpropanoate
PubChem CID68568734
Molecular FormulaC19H33NO4
Molecular Weight339.48 g/mol
Exact Mass339.24
IUPAC Name[cyclohexyl(cyclohexylmethylcarbamoyloxy)methyl] 2-methylpropanoate
SMILESCC(C)C(=O)OC(OC(=O)NCC1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H33NO4/c1-14(2)17(21)23-18(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)
InChIKeyCXPNIEGUQFDANR-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

carbonic acid;[cyclohexyl(cyclohexylmethylcarbamoyloxy)methyl] butanoate
CID 68567866
1-[(4-formylcyclohexyl)methylcarbamoyloxy]ethyl 2-methylpropanoate
CID 173061112
acetic acid;2-(cyclohexylmethylcarbamoyloxy)propan-2-yl 2-methylpropanoate
CID 69176752
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
[1-(cyclohexylmethylcarbamoyloxy)-2-methylpropyl] cyclohexanecarboxylate
CID 68568677
2,6,8-trihydroxynonan-4-yl N-(cyclopentylmethyl)carbamate
CID 59928754
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
N-(cyclopentylmethyl)-2-methylpropanamide;ethane
CID 176960669
2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride
CID 119299452
ethyl N-(cyclohexylmethyl)carbamate;molecular hydrogen
CID 144717784
prop-2-enyl N-(cyclohexylmethyl)carbamate
CID 137320456
sodium 4-[[[(1S)-1-(2-methylpropanoyloxy)ethoxy]carbonylamino]methyl]cyclohexane-1-carboxylate
CID 66841781

Frequently Asked Questions

What is the IUPAC name of [cyclohexyl(cyclohexylmethylcarbamoyloxy)methyl] 2-methylpropanoate?
The IUPAC name of [cyclohexyl(cyclohexylmethylcarbamoyloxy)methyl] 2-methylpropanoate (CID 68568734) is [cyclohexyl(cyclohexylmethylcarbamoyloxy)methyl] 2-methylpropanoate.
What is the SMILES notation for [cyclohexyl(cyclohexylmethylcarbamoyloxy)methyl] 2-methylpropanoate?
The canonical SMILES for [cyclohexyl(cyclohexylmethylcarbamoyloxy)methyl] 2-methylpropanoate is CC(C)C(=O)OC(OC(=O)NCC1CCCCC1)C1CCCCC1.
What is the InChIKey of [cyclohexyl(cyclohexylmethylcarbamoyloxy)methyl] 2-methylpropanoate?
The InChIKey is CXPNIEGUQFDANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO4/c1-14(2)17(21)23-18(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 [cyclohexyl(cyclohexylmethylcarbamoyloxy)methyl] 2-methylpropanoate?
[cyclohexyl(cyclohexylmethylcarbamoyloxy)methyl] 2-methylpropanoate 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 [cyclohexyl(cyclohexylmethylcarbamoyloxy)methyl] 2-methylpropanoate is sourced from PubChem (CID 68568734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).