tert-butyl N-[2-[2-[3-(2-aminophenyl)propoxy]ethoxy]ethyl]carbamate

C18H30N2O4 — CID 159047578

IUPACtert-butyl N-[2-[2-[3-(2-aminophenyl)propoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCCc1ccccc1N
InChIInChI=1S/C18H30N2O4/c1-18(2,3)24-17(21)20-10-12-23-14-13-22-11-6-8-15-7-4-5-9-16(15)19/h4-5,7,9H,6,8,10-14,19H2,1-3H3,(H,20,21)
InChIKeyUTGNMEPDAAQOFC-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.76
Rot. Bonds10

About tert-butyl N-[2-[2-[3-(2-aminophenyl)propoxy]ethoxy]ethyl]carbamate

tert-butyl N-[2-[2-[3-(2-aminophenyl)propoxy]ethoxy]ethyl]carbamate (PubChem CID 159047578) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[3-(2-aminophenyl)propoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[3-(2-aminophenyl)propoxy]ethoxy]ethyl]carbamate
PubChem CID159047578
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Nametert-butyl N-[2-[2-[3-(2-aminophenyl)propoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCCc1ccccc1N
InChIInChI=1S/C18H30N2O4/c1-18(2,3)24-17(21)20-10-12-23-14-13-22-11-6-8-15-7-4-5-9-16(15)19/h4-5,7,9H,6,8,10-14,19H2,1-3H3,(H,20,21)
InChIKeyUTGNMEPDAAQOFC-UHFFFAOYSA-N
XLogP2.76
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220
2-(aminomethyl)aniline;tert-butyl N-[(2-aminophenyl)methyl]carbamate
CID 159590689
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
tert-butyl N-[2-[2-[2-[(4-aminobenzoyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 102393692
tert-butyl N-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethyl]carbamate
CID 177120478
tert-butyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxycarbonylamino]ethoxy]ethoxy]ethyl]carbamate
CID 138695989
tert-butyl N-[2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170538962
benzyl 3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]propanoate
CID 123132103
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl (2E,4E)-5-phenylpenta-2,4-dienoate
CID 169083647
tert-butyl N-[2-[2-[2-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]ethoxy]ethoxy]ethyl]carbamate
CID 159536089
2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 138694078

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[3-(2-aminophenyl)propoxy]ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[3-(2-aminophenyl)propoxy]ethoxy]ethyl]carbamate (CID 159047578) is tert-butyl N-[2-[2-[3-(2-aminophenyl)propoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[3-(2-aminophenyl)propoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[3-(2-aminophenyl)propoxy]ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOCCCc1ccccc1N.
What is the InChIKey of tert-butyl N-[2-[2-[3-(2-aminophenyl)propoxy]ethoxy]ethyl]carbamate?
The InChIKey is UTGNMEPDAAQOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-18(2,3)24-17(21)20-10-12-23-14-13-22-11-6-8-15-7-4-5-9-16(15)19/h4-5,7,9H,6,8,10-14,19H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[2-[2-[3-(2-aminophenyl)propoxy]ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-[3-(2-aminophenyl)propoxy]ethoxy]ethyl]carbamate has a molecular weight of 338.45 g/mol, XLogP of 2.76, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[3-(2-aminophenyl)propoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 159047578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).