tert-butyl N-(1-acetylazepan-4-yl)carbamate

C13H24N2O3 — CID 123656997

IUPACtert-butyl N-(1-acetylazepan-4-yl)carbamate
SMILESCC(=O)N1CCCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-10(16)15-8-5-6-11(7-9-15)14-12(17)18-13(2,3)4/h11H,5-9H2,1-4H3,(H,14,17)
InChIKeyHJSWIAAHJJUEIY-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.91
Rot. Bonds1

About tert-butyl N-(1-acetylazepan-4-yl)carbamate

tert-butyl N-(1-acetylazepan-4-yl)carbamate (PubChem CID 123656997) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl N-(1-acetylazepan-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-acetylazepan-4-yl)carbamate
PubChem CID123656997
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl N-(1-acetylazepan-4-yl)carbamate
SMILESCC(=O)N1CCCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-10(16)15-8-5-6-11(7-9-15)14-12(17)18-13(2,3)4/h11H,5-9H2,1-4H3,(H,14,17)
InChIKeyHJSWIAAHJJUEIY-UHFFFAOYSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]carbamate
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tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]carbamate
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4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
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tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
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tert-butyl N-[1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
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tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
tert-butyl N-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]carbamate
CID 66925793
tert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate
CID 158395553
tert-butyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
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tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate
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tert-butyl N-[1-(3-chloropropanoyl)piperidin-4-yl]carbamate
CID 124703982

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-acetylazepan-4-yl)carbamate?
The IUPAC name of tert-butyl N-(1-acetylazepan-4-yl)carbamate (CID 123656997) is tert-butyl N-(1-acetylazepan-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-acetylazepan-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-acetylazepan-4-yl)carbamate is CC(=O)N1CCCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-(1-acetylazepan-4-yl)carbamate?
The InChIKey is HJSWIAAHJJUEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(16)15-8-5-6-11(7-9-15)14-12(17)18-13(2,3)4/h11H,5-9H2,1-4H3,(H,14,17).
What are the key properties of tert-butyl N-(1-acetylazepan-4-yl)carbamate?
tert-butyl N-(1-acetylazepan-4-yl)carbamate has a molecular weight of 256.35 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-acetylazepan-4-yl)carbamate is sourced from PubChem (CID 123656997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).