tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate

C15H24N2O4 — CID 156819756

IUPACtert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1cccc(OCCN)c1
InChIInChI=1S/C15H24N2O4/c1-15(2,3)21-14(18)17-8-10-20-13-6-4-5-12(11-13)19-9-7-16/h4-6,11H,7-10,16H2,1-3H3,(H,17,18)
InChIKeyKZQWOWOKRDVBQH-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.93
Rot. Bonds7

About tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate

tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate (PubChem CID 156819756) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate
PubChem CID156819756
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nametert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1cccc(OCCN)c1
InChIInChI=1S/C15H24N2O4/c1-15(2,3)21-14(18)17-8-10-20-13-6-4-5-12(11-13)19-9-7-16/h4-6,11H,7-10,16H2,1-3H3,(H,17,18)
InChIKeyKZQWOWOKRDVBQH-UHFFFAOYSA-N
XLogP1.93
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.93
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-(3-tert-butylphenoxy)ethyl]carbamate
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2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetic acid
CID 164513589
tert-butyl N-[2-(3-nitrophenoxy)ethyl]carbamate
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2-(3-bromophenoxy)ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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tert-butyl N-[2-(4-amino-3-chlorophenoxy)ethyl]carbamate
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tert-butyl N-[3-[2-(3-aminopropylamino)ethoxy]phenyl]carbamate
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tert-butyl N-[2-[3-(3-phenylprop-1-ynyl)phenoxy]ethyl]carbamate
CID 66628798
S-[[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]methyl] 2-methylpropanethioate
CID 122440582
tert-butyl N-[2-[3-[(3-methylcyclobutyl)amino]phenoxy]ethyl]carbamate
CID 104860245
tert-butyl N-[2-[3-(pentan-2-ylamino)phenoxy]ethyl]carbamate
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tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate
CID 156874052

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate (CID 156819756) is tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOc1cccc(OCCN)c1.
What is the InChIKey of tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate?
The InChIKey is KZQWOWOKRDVBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(2,3)21-14(18)17-8-10-20-13-6-4-5-12(11-13)19-9-7-16/h4-6,11H,7-10,16H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate?
tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate has a molecular weight of 296.37 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate is sourced from PubChem (CID 156819756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).