tert-butyl N-ethyl-N-(3-oxopentyl)carbamate

C12H23NO3 — CID 122518879

IUPACtert-butyl N-ethyl-N-(3-oxopentyl)carbamate
SMILESCCC(=O)CCN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-6-10(14)8-9-13(7-2)11(15)16-12(3,4)5/h6-9H2,1-5H3
InChIKeyAGMHYDFFPLKVRJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.61
Rot. Bonds5

About tert-butyl N-ethyl-N-(3-oxopentyl)carbamate

tert-butyl N-ethyl-N-(3-oxopentyl)carbamate (PubChem CID 122518879) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(3-oxopentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(3-oxopentyl)carbamate
PubChem CID122518879
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl N-ethyl-N-(3-oxopentyl)carbamate
SMILESCCC(=O)CCN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-6-10(14)8-9-13(7-2)11(15)16-12(3,4)5/h6-9H2,1-5H3
InChIKeyAGMHYDFFPLKVRJ-UHFFFAOYSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
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3-[2-carboxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
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tert-butyl N-(aminomethyl)-N-ethylcarbamate
CID 130382766
tert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate
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tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate
CID 177330267
tert-butyl N-ethyl-N-(3-methyl-4-oxopentyl)carbamate
CID 142256576
acetaldehyde;acetylene;tert-butyl N,N-diethylcarbamate
CID 143752017
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-(3-oxopentyl)carbamate?
The IUPAC name of tert-butyl N-ethyl-N-(3-oxopentyl)carbamate (CID 122518879) is tert-butyl N-ethyl-N-(3-oxopentyl)carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-(3-oxopentyl)carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-(3-oxopentyl)carbamate is CCC(=O)CCN(CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-(3-oxopentyl)carbamate?
The InChIKey is AGMHYDFFPLKVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-6-10(14)8-9-13(7-2)11(15)16-12(3,4)5/h6-9H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-(3-oxopentyl)carbamate?
tert-butyl N-ethyl-N-(3-oxopentyl)carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-(3-oxopentyl)carbamate is sourced from PubChem (CID 122518879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).