tert-butyl N-[2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]ethyl]carbamate

C16H25N3O5 — CID 108871280

IUPACtert-butyl N-[2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]ethyl]carbamate
SMILESCC(NC(=O)NCCNC(=O)OC(C)(C)C)Oc1ccc(O)cc1
InChIInChI=1S/C16H25N3O5/c1-11(23-13-7-5-12(20)6-8-13)19-14(21)17-9-10-18-15(22)24-16(2,3)4/h5-8,11,20H,9-10H2,1-4H3,(H,18,22)(H2,17,19,21)
InChIKeyBUCOSOLTRWHRJM-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.94
Rot. Bonds6

About tert-butyl N-[2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]ethyl]carbamate

tert-butyl N-[2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]ethyl]carbamate (PubChem CID 108871280) has the molecular formula C16H25N3O5 and a molecular weight of 339.39 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]ethyl]carbamate
PubChem CID108871280
Molecular FormulaC16H25N3O5
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Nametert-butyl N-[2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]ethyl]carbamate
SMILESCC(NC(=O)NCCNC(=O)OC(C)(C)C)Oc1ccc(O)cc1
InChIInChI=1S/C16H25N3O5/c1-11(23-13-7-5-12(20)6-8-13)19-14(21)17-9-10-18-15(22)24-16(2,3)4/h5-8,11,20H,9-10H2,1-4H3,(H,18,22)(H2,17,19,21)
InChIKeyBUCOSOLTRWHRJM-UHFFFAOYSA-N
XLogP1.94
TPSA108.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-methylpropyl)urea
CID 108870958
1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-hydroxypropyl)urea
CID 108871066
1-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea
CID 108871109
tert-butyl N-[2-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethylamino]-2-oxoethyl]carbamate
CID 108537115
tert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate
CID 115671145
ethyl N-[2-[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]ethyl]carbamate
CID 108880818
1-[2-(2-chlorophenyl)ethyl]-3-[1-(4-hydroxyphenoxy)ethyl]urea
CID 108871252
tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
CID 129383215
methyl 4-[[1-(4-hydroxyphenoxy)ethylcarbamoylamino]methyl]benzoate
CID 108871239
tert-butyl N-[1-[2-[(4-hydroxybenzoyl)amino]ethylamino]-1-oxopropan-2-yl]carbamate
CID 55869614
tert-butyl N-[2-(4-hydroxyphenyl)sulfinylethyl]carbamate
CID 146613721
tert-butyl N-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate
CID 174419381

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]ethyl]carbamate (CID 108871280) is tert-butyl N-[2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]ethyl]carbamate is CC(NC(=O)NCCNC(=O)OC(C)(C)C)Oc1ccc(O)cc1.
What is the InChIKey of tert-butyl N-[2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]ethyl]carbamate?
The InChIKey is BUCOSOLTRWHRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5/c1-11(23-13-7-5-12(20)6-8-13)19-14(21)17-9-10-18-15(22)24-16(2,3)4/h5-8,11,20H,9-10H2,1-4H3,(H,18,22)(H2,17,19,21).
What are the key properties of tert-butyl N-[2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]ethyl]carbamate?
tert-butyl N-[2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]ethyl]carbamate has a molecular weight of 339.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]ethyl]carbamate is sourced from PubChem (CID 108871280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).