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

C10H19NO3 — CID 23562615

IUPACtert-butyl N-ethyl-N-(3-oxopropyl)carbamate
SMILESCCN(CCC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-11(7-6-8-12)9(13)14-10(2,3)4/h8H,5-7H2,1-4H3
InChIKeySLHDGGORWJZRKA-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.83
Rot. Bonds4

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

tert-butyl N-ethyl-N-(3-oxopropyl)carbamate (PubChem CID 23562615) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(3-oxopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(3-oxopropyl)carbamate
PubChem CID23562615
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl N-ethyl-N-(3-oxopropyl)carbamate
SMILESCCN(CCC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-11(7-6-8-12)9(13)14-10(2,3)4/h8H,5-7H2,1-4H3
InChIKeySLHDGGORWJZRKA-UHFFFAOYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.83
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-ethyl-N-(3-oxopropyl)carbamate?
The IUPAC name of tert-butyl N-ethyl-N-(3-oxopropyl)carbamate (CID 23562615) is tert-butyl N-ethyl-N-(3-oxopropyl)carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-(3-oxopropyl)carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-(3-oxopropyl)carbamate is CCN(CCC=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-(3-oxopropyl)carbamate?
The InChIKey is SLHDGGORWJZRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-11(7-6-8-12)9(13)14-10(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of tert-butyl N-ethyl-N-(3-oxopropyl)carbamate?
tert-butyl N-ethyl-N-(3-oxopropyl)carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.83, 4 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-oxopropyl)carbamate is sourced from PubChem (CID 23562615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).