tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate

C14H29NO4 — CID 170396360

IUPACtert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate
SMILESCCCOCCCOCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO4/c1-5-9-17-11-7-12-18-10-6-8-15-13(16)19-14(2,3)4/h5-12H2,1-4H3,(H,15,16)
InChIKeyJZFKXLHNPONBME-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.73
Rot. Bonds10

About tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate

tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate (PubChem CID 170396360) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate
PubChem CID170396360
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Nametert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate
SMILESCCCOCCCOCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO4/c1-5-9-17-11-7-12-18-10-6-8-15-13(16)19-14(2,3)4/h5-12H2,1-4H3,(H,15,16)
InChIKeyJZFKXLHNPONBME-UHFFFAOYSA-N
XLogP2.73
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-[2-[2-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]ethoxy]ethoxy]ethyl]carbamate
CID 159536089
tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate
CID 170396361
tert-butyl N-(3-ethoxypropyl)carbamate
CID 63787963
tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
CID 87187149
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate
CID 58725633
tert-butyl N-[3-[[(3-butoxypropylamino)-(ethylamino)methylidene]amino]propyl]carbamate;hydroiodide
CID 111240918
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-[2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170538962
tert-butyl N-[4-(2-iodoethoxy)butyl]carbamate
CID 171066422
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate (CID 170396360) is tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate is CCCOCCCOCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate?
The InChIKey is JZFKXLHNPONBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-5-9-17-11-7-12-18-10-6-8-15-13(16)19-14(2,3)4/h5-12H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate?
tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate has a molecular weight of 275.39 g/mol, XLogP of 2.73, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate is sourced from PubChem (CID 170396360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).