tert-butyl N-(3-cyclopentyl-3-oxopropyl)-N-pentan-2-ylcarbamate

C18H33NO3 — CID 121443463

IUPACtert-butyl N-(3-cyclopentyl-3-oxopropyl)-N-pentan-2-ylcarbamate
SMILESCCCC(C)N(CCC(=O)C1CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H33NO3/c1-6-9-14(2)19(17(21)22-18(3,4)5)13-12-16(20)15-10-7-8-11-15/h14-15H,6-13H2,1-5H3
InChIKeyCFJGIEBIWHFVEM-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.56
Rot. Bonds7

About tert-butyl N-(3-cyclopentyl-3-oxopropyl)-N-pentan-2-ylcarbamate

tert-butyl N-(3-cyclopentyl-3-oxopropyl)-N-pentan-2-ylcarbamate (PubChem CID 121443463) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is tert-butyl N-(3-cyclopentyl-3-oxopropyl)-N-pentan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-cyclopentyl-3-oxopropyl)-N-pentan-2-ylcarbamate
PubChem CID121443463
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Nametert-butyl N-(3-cyclopentyl-3-oxopropyl)-N-pentan-2-ylcarbamate
SMILESCCCC(C)N(CCC(=O)C1CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H33NO3/c1-6-9-14(2)19(17(21)22-18(3,4)5)13-12-16(20)15-10-7-8-11-15/h14-15H,6-13H2,1-5H3
InChIKeyCFJGIEBIWHFVEM-UHFFFAOYSA-N
XLogP4.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-cyclopentyl-3-oxopropyl)-N-pentan-2-ylcarbamate?
The IUPAC name of tert-butyl N-(3-cyclopentyl-3-oxopropyl)-N-pentan-2-ylcarbamate (CID 121443463) is tert-butyl N-(3-cyclopentyl-3-oxopropyl)-N-pentan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-(3-cyclopentyl-3-oxopropyl)-N-pentan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-(3-cyclopentyl-3-oxopropyl)-N-pentan-2-ylcarbamate is CCCC(C)N(CCC(=O)C1CCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-cyclopentyl-3-oxopropyl)-N-pentan-2-ylcarbamate?
The InChIKey is CFJGIEBIWHFVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3/c1-6-9-14(2)19(17(21)22-18(3,4)5)13-12-16(20)15-10-7-8-11-15/h14-15H,6-13H2,1-5H3.
What are the key properties of tert-butyl N-(3-cyclopentyl-3-oxopropyl)-N-pentan-2-ylcarbamate?
tert-butyl N-(3-cyclopentyl-3-oxopropyl)-N-pentan-2-ylcarbamate has a molecular weight of 311.47 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-cyclopentyl-3-oxopropyl)-N-pentan-2-ylcarbamate is sourced from PubChem (CID 121443463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).