tert-butyl N-[2-[(5-ethylfuran-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate

C17H30N2O4 — CID 107257164

IUPACtert-butyl N-[2-[(5-ethylfuran-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate
SMILESCCc1ccc(CNCCN(CC(C)O)C(=O)OC(C)(C)C)o1
InChIInChI=1S/C17H30N2O4/c1-6-14-7-8-15(22-14)11-18-9-10-19(12-13(2)20)16(21)23-17(3,4)5/h7-8,13,18,20H,6,9-12H2,1-5H3
InChIKeyUJGYHGXQKQWXSE-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.55
Rot. Bonds8

About tert-butyl N-[2-[(5-ethylfuran-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate

tert-butyl N-[2-[(5-ethylfuran-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate (PubChem CID 107257164) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-ethylfuran-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-ethylfuran-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate
PubChem CID107257164
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Nametert-butyl N-[2-[(5-ethylfuran-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate
SMILESCCc1ccc(CNCCN(CC(C)O)C(=O)OC(C)(C)C)o1
InChIInChI=1S/C17H30N2O4/c1-6-14-7-8-15(22-14)11-18-9-10-19(12-13(2)20)16(21)23-17(3,4)5/h7-8,13,18,20H,6,9-12H2,1-5H3
InChIKeyUJGYHGXQKQWXSE-UHFFFAOYSA-N
XLogP2.55
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257153
tert-butyl N-[2-[(4-chlorothiophen-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257286
tert-butyl N-[2-[(4,5-dibromothiophen-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257292
tert-butyl N-(2-hydroxypropyl)-N-[2-[(5-nitrothiophen-2-yl)methylamino]ethyl]carbamate
CID 114078129
tert-butyl N-[2-[(5-bromofuran-2-yl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245855
tert-butyl N-(2-hydroxypropyl)-N-[2-(1-phenylethylamino)ethyl]carbamate
CID 107257059
tert-butyl N-(2-hydroxypropyl)-N-[2-(oxolan-2-ylmethylamino)ethyl]carbamate
CID 107257139
tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate
CID 97184684
tert-butyl N-(2-hydroxypropyl)-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate
CID 107257320
tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257084
tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257185
tert-butyl N-(2-hydroxypropyl)-N-[2-(oxetan-3-ylamino)ethyl]carbamate
CID 107257085

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-ethylfuran-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate?
The IUPAC name of tert-butyl N-[2-[(5-ethylfuran-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate (CID 107257164) is tert-butyl N-[2-[(5-ethylfuran-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-ethylfuran-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate?
The canonical SMILES for tert-butyl N-[2-[(5-ethylfuran-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate is CCc1ccc(CNCCN(CC(C)O)C(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[2-[(5-ethylfuran-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate?
The InChIKey is UJGYHGXQKQWXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-6-14-7-8-15(22-14)11-18-9-10-19(12-13(2)20)16(21)23-17(3,4)5/h7-8,13,18,20H,6,9-12H2,1-5H3.
What are the key properties of tert-butyl N-[2-[(5-ethylfuran-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate?
tert-butyl N-[2-[(5-ethylfuran-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate has a molecular weight of 326.44 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(5-ethylfuran-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate is sourced from PubChem (CID 107257164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).