tert-butyl N-methyl-N-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamate

C16H29NO3 — CID 23395984

IUPACtert-butyl N-methyl-N-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamate
SMILESCN(CCC1CCC(CC=O)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO3/c1-16(2,3)20-15(19)17(4)11-9-13-5-7-14(8-6-13)10-12-18/h12-14H,5-11H2,1-4H3
InChIKeyURXMZVNZCVQBRJ-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.64
Rot. Bonds5

About tert-butyl N-methyl-N-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamate

tert-butyl N-methyl-N-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamate (PubChem CID 23395984) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamate
PubChem CID23395984
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nametert-butyl N-methyl-N-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamate
SMILESCN(CCC1CCC(CC=O)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO3/c1-16(2,3)20-15(19)17(4)11-9-13-5-7-14(8-6-13)10-12-18/h12-14H,5-11H2,1-4H3
InChIKeyURXMZVNZCVQBRJ-UHFFFAOYSA-N
XLogP3.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamate (CID 23395984) is tert-butyl N-methyl-N-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamate is CN(CCC1CCC(CC=O)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamate?
The InChIKey is URXMZVNZCVQBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-16(2,3)20-15(19)17(4)11-9-13-5-7-14(8-6-13)10-12-18/h12-14H,5-11H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamate has a molecular weight of 283.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamate is sourced from PubChem (CID 23395984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).