ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-phenylcarbamate

C19H27NO4 — CID 123933470

IUPACethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-phenylcarbamate
SMILESCCOC(=O)N(C(=O)OC(C)(C)C1CCCCC1)c1ccccc1
InChIInChI=1S/C19H27NO4/c1-4-23-17(21)20(16-13-9-6-10-14-16)18(22)24-19(2,3)15-11-7-5-8-12-15/h6,9-10,13-15H,4-5,7-8,11-12H2,1-3H3
InChIKeyTWTQFIDRWKJMSY-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.14
Rot. Bonds4

About ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-phenylcarbamate

ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-phenylcarbamate (PubChem CID 123933470) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-phenylcarbamate.

Molecular Properties

Compound Nameethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-phenylcarbamate
PubChem CID123933470
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Nameethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-phenylcarbamate
SMILESCCOC(=O)N(C(=O)OC(C)(C)C1CCCCC1)c1ccccc1
InChIInChI=1S/C19H27NO4/c1-4-23-17(21)20(16-13-9-6-10-14-16)18(22)24-19(2,3)15-11-7-5-8-12-15/h6,9-10,13-15H,4-5,7-8,11-12H2,1-3H3
InChIKeyTWTQFIDRWKJMSY-UHFFFAOYSA-N
XLogP5.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-(2-phenylethyl)carbamate
CID 138598687
ethyl N-carbonochloridoyl-N-phenylcarbamate
CID 54098046
ethyl N-(2-aminoacetyl)-N-phenylcarbamate
CID 174322881
ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate
CID 12565684
ethyl 2-cyclohexyl-2-hydroxy-3,4-dimethyl-4-phenylpentanoate
CID 174492804
ethyl 2-(2-benzoylhydrazinyl)-2-cyclohexylpropanoate
CID 142705382
2-cyclohexylpropan-2-yl (4-phenyliodanuidylphenyl) carbonate
CID 59503183
ethyl 3-cyano-3-cyclohexyl-3-phenylpropanoate
CID 22718294
2-cycloheptyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973885
3-(2-cyclohexylpropan-2-yloxy)-2-methyl-3-oxopropanoic acid
CID 170442794
ethyl 2-phenylpiperidine-1-carboxylate
CID 12791774
ethyl 2-cyclohexyl-2-(2-fluoroanilino)propanoate
CID 63526274

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-phenylcarbamate?
The IUPAC name of ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-phenylcarbamate (CID 123933470) is ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-phenylcarbamate.
What is the SMILES notation for ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-phenylcarbamate?
The canonical SMILES for ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-phenylcarbamate is CCOC(=O)N(C(=O)OC(C)(C)C1CCCCC1)c1ccccc1.
What is the InChIKey of ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-phenylcarbamate?
The InChIKey is TWTQFIDRWKJMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-4-23-17(21)20(16-13-9-6-10-14-16)18(22)24-19(2,3)15-11-7-5-8-12-15/h6,9-10,13-15H,4-5,7-8,11-12H2,1-3H3.
What are the key properties of ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-phenylcarbamate?
ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-phenylcarbamate has a molecular weight of 333.43 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-phenylcarbamate is sourced from PubChem (CID 123933470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).