tert-butyl N-(3-ethoxypropyl)carbamate

C10H21NO3 — CID 63787963

IUPACtert-butyl N-(3-ethoxypropyl)carbamate
SMILESCCOCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-5-13-8-6-7-11-9(12)14-10(2,3)4/h5-8H2,1-4H3,(H,11,12)
InChIKeyOSAMMUYKJFJAMF-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.94
Rot. Bonds5

About tert-butyl N-(3-ethoxypropyl)carbamate

tert-butyl N-(3-ethoxypropyl)carbamate (PubChem CID 63787963) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is tert-butyl N-(3-ethoxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-ethoxypropyl)carbamate
PubChem CID63787963
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nametert-butyl N-(3-ethoxypropyl)carbamate
SMILESCCOCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-5-13-8-6-7-11-9(12)14-10(2,3)4/h5-8H2,1-4H3,(H,11,12)
InChIKeyOSAMMUYKJFJAMF-UHFFFAOYSA-N
XLogP1.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate
CID 161198588
tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate
CID 170396360
tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
CID 87187149
tert-butyl N-[3-[[N-(4-ethoxybutyl)-N'-methylcarbamimidoyl]amino]propyl]carbamate
CID 111886369
tert-butyl N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]carbamate;molecular hydrogen
CID 177223683
tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate
CID 170396361
tert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate
CID 155275245
ethyl (2S)-2-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propanoate
CID 175475668
tert-butyl N-[4-(hydroxymethoxy)butyl]carbamate
CID 87889000
N-(3-ethoxypropyl)-2,2-dimethylpropanamide
CID 60717995
tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate
CID 58725633
tert-butyl N-butylcarbamate;methane
CID 153346289

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-ethoxypropyl)carbamate?
The IUPAC name of tert-butyl N-(3-ethoxypropyl)carbamate (CID 63787963) is tert-butyl N-(3-ethoxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-ethoxypropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-ethoxypropyl)carbamate is CCOCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-ethoxypropyl)carbamate?
The InChIKey is OSAMMUYKJFJAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-5-13-8-6-7-11-9(12)14-10(2,3)4/h5-8H2,1-4H3,(H,11,12).
What are the key properties of tert-butyl N-(3-ethoxypropyl)carbamate?
tert-butyl N-(3-ethoxypropyl)carbamate has a molecular weight of 203.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-ethoxypropyl)carbamate is sourced from PubChem (CID 63787963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).