tert-butyl N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

C18H34N2O7 — CID 171935400

IUPACtert-butyl N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESC=CC(=O)NCCOCCOCCOCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O7/c1-5-16(21)19-6-8-23-10-12-25-14-15-26-13-11-24-9-7-20-17(22)27-18(2,3)4/h5H,1,6-15H2,2-4H3,(H,19,21)(H,20,22)
InChIKeyTXOFFKQSIOXSGG-UHFFFAOYSA-N
MW390.48 g/mol
LogP0.88
Rot. Bonds16

About tert-butyl N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

tert-butyl N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 171935400) has the molecular formula C18H34N2O7 and a molecular weight of 390.48 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
PubChem CID171935400
Molecular FormulaC18H34N2O7
Molecular Weight390.48 g/mol
Exact Mass390.24
IUPAC Nametert-butyl N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESC=CC(=O)NCCOCCOCCOCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O7/c1-5-16(21)19-6-8-23-10-12-25-14-15-26-13-11-24-9-7-20-17(22)27-18(2,3)4/h5H,1,6-15H2,2-4H3,(H,19,21)(H,20,22)
InChIKeyTXOFFKQSIOXSGG-UHFFFAOYSA-N
XLogP0.88
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 171935400) is tert-butyl N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is C=CC(=O)NCCOCCOCCOCCOCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is TXOFFKQSIOXSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O7/c1-5-16(21)19-6-8-23-10-12-25-14-15-26-13-11-24-9-7-20-17(22)27-18(2,3)4/h5H,1,6-15H2,2-4H3,(H,19,21)(H,20,22).
What are the key properties of tert-butyl N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 390.48 g/mol, XLogP of 0.88, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 171935400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).