tert-butyl N-[2-(but-3-enylamino)-2-oxoethyl]-N-(2-hydroxypropyl)carbamate

C14H26N2O4 — CID 91477046

IUPACtert-butyl N-[2-(but-3-enylamino)-2-oxoethyl]-N-(2-hydroxypropyl)carbamate
SMILESC=CCCNC(=O)CN(CC(C)O)C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-6-7-8-15-12(18)10-16(9-11(2)17)13(19)20-14(3,4)5/h6,11,17H,1,7-10H2,2-5H3,(H,15,18)
InChIKeyRCIQEUMRUCXVBH-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.30
Rot. Bonds7

About tert-butyl N-[2-(but-3-enylamino)-2-oxoethyl]-N-(2-hydroxypropyl)carbamate

tert-butyl N-[2-(but-3-enylamino)-2-oxoethyl]-N-(2-hydroxypropyl)carbamate (PubChem CID 91477046) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl N-[2-(but-3-enylamino)-2-oxoethyl]-N-(2-hydroxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(but-3-enylamino)-2-oxoethyl]-N-(2-hydroxypropyl)carbamate
PubChem CID91477046
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl N-[2-(but-3-enylamino)-2-oxoethyl]-N-(2-hydroxypropyl)carbamate
SMILESC=CCCNC(=O)CN(CC(C)O)C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-6-7-8-15-12(18)10-16(9-11(2)17)13(19)20-14(3,4)5/h6,11,17H,1,7-10H2,2-5H3,(H,15,18)
InChIKeyRCIQEUMRUCXVBH-UHFFFAOYSA-N
XLogP1.30
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(but-3-enylamino)-2-oxoethyl]-N-(2-hydroxypropyl)carbamate?
The IUPAC name of tert-butyl N-[2-(but-3-enylamino)-2-oxoethyl]-N-(2-hydroxypropyl)carbamate (CID 91477046) is tert-butyl N-[2-(but-3-enylamino)-2-oxoethyl]-N-(2-hydroxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-[2-(but-3-enylamino)-2-oxoethyl]-N-(2-hydroxypropyl)carbamate?
The canonical SMILES for tert-butyl N-[2-(but-3-enylamino)-2-oxoethyl]-N-(2-hydroxypropyl)carbamate is C=CCCNC(=O)CN(CC(C)O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(but-3-enylamino)-2-oxoethyl]-N-(2-hydroxypropyl)carbamate?
The InChIKey is RCIQEUMRUCXVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-6-7-8-15-12(18)10-16(9-11(2)17)13(19)20-14(3,4)5/h6,11,17H,1,7-10H2,2-5H3,(H,15,18).
What are the key properties of tert-butyl N-[2-(but-3-enylamino)-2-oxoethyl]-N-(2-hydroxypropyl)carbamate?
tert-butyl N-[2-(but-3-enylamino)-2-oxoethyl]-N-(2-hydroxypropyl)carbamate has a molecular weight of 286.37 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(but-3-enylamino)-2-oxoethyl]-N-(2-hydroxypropyl)carbamate is sourced from PubChem (CID 91477046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).