tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate

C14H26N2O3 — CID 24689322

IUPACtert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCCC1
InChIInChI=1S/C14H26N2O3/c1-11(15-13(18)19-14(2,3)4)12(17)16-9-7-5-6-8-10-16/h11H,5-10H2,1-4H3,(H,15,18)
InChIKeyFLBYKSAOOSURMI-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.30
Rot. Bonds2

About tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 24689322) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate
PubChem CID24689322
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCCC1
InChIInChI=1S/C14H26N2O3/c1-11(15-13(18)19-14(2,3)4)12(17)16-9-7-5-6-8-10-16/h11H,5-10H2,1-4H3,(H,15,18)
InChIKeyFLBYKSAOOSURMI-UHFFFAOYSA-N
XLogP2.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate (CID 24689322) is tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(=O)N1CCCCCC1.
What is the InChIKey of tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is FLBYKSAOOSURMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(15-13(18)19-14(2,3)4)12(17)16-9-7-5-6-8-10-16/h11H,5-10H2,1-4H3,(H,15,18).
What are the key properties of tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 270.37 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 24689322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).