tert-butyl N-benzyl-N-(cyclohexanecarbonyl)carbamate

C19H27NO3 — CID 66706937

IUPACtert-butyl N-benzyl-N-(cyclohexanecarbonyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C(=O)C1CCCCC1
InChIInChI=1S/C19H27NO3/c1-19(2,3)23-18(22)20(14-15-10-6-4-7-11-15)17(21)16-12-8-5-9-13-16/h4,6-7,10-11,16H,5,8-9,12-14H2,1-3H3
InChIKeyLBICGAPZTCQVME-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.53
Rot. Bonds3

About tert-butyl N-benzyl-N-(cyclohexanecarbonyl)carbamate

tert-butyl N-benzyl-N-(cyclohexanecarbonyl)carbamate (PubChem CID 66706937) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-(cyclohexanecarbonyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-(cyclohexanecarbonyl)carbamate
PubChem CID66706937
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Nametert-butyl N-benzyl-N-(cyclohexanecarbonyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C(=O)C1CCCCC1
InChIInChI=1S/C19H27NO3/c1-19(2,3)23-18(22)20(14-15-10-6-4-7-11-15)17(21)16-12-8-5-9-13-16/h4,6-7,10-11,16H,5,8-9,12-14H2,1-3H3
InChIKeyLBICGAPZTCQVME-UHFFFAOYSA-N
XLogP4.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-(cyclohexanecarbonyl)carbamate?
The IUPAC name of tert-butyl N-benzyl-N-(cyclohexanecarbonyl)carbamate (CID 66706937) is tert-butyl N-benzyl-N-(cyclohexanecarbonyl)carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-(cyclohexanecarbonyl)carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-(cyclohexanecarbonyl)carbamate is CC(C)(C)OC(=O)N(Cc1ccccc1)C(=O)C1CCCCC1.
What is the InChIKey of tert-butyl N-benzyl-N-(cyclohexanecarbonyl)carbamate?
The InChIKey is LBICGAPZTCQVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-19(2,3)23-18(22)20(14-15-10-6-4-7-11-15)17(21)16-12-8-5-9-13-16/h4,6-7,10-11,16H,5,8-9,12-14H2,1-3H3.
What are the key properties of tert-butyl N-benzyl-N-(cyclohexanecarbonyl)carbamate?
tert-butyl N-benzyl-N-(cyclohexanecarbonyl)carbamate has a molecular weight of 317.43 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-(cyclohexanecarbonyl)carbamate is sourced from PubChem (CID 66706937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).