tert-butyl N-[3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propyl]carbamate

C23H31NO4 — CID 167437352

IUPACtert-butyl N-[3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCOc1ccc(C(C)(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C23H31NO4/c1-22(2,3)28-21(26)24-15-6-16-27-20-13-9-18(10-14-20)23(4,5)17-7-11-19(25)12-8-17/h7-14,25H,6,15-16H2,1-5H3,(H,24,26)
InChIKeyULOCGOVAAFWSAV-UHFFFAOYSA-N
MW385.50 g/mol
LogP5.01
Rot. Bonds7

About tert-butyl N-[3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propyl]carbamate

tert-butyl N-[3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propyl]carbamate (PubChem CID 167437352) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is tert-butyl N-[3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propyl]carbamate
PubChem CID167437352
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Nametert-butyl N-[3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCOc1ccc(C(C)(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C23H31NO4/c1-22(2,3)28-21(26)24-15-6-16-27-20-13-9-18(10-14-20)23(4,5)17-7-11-19(25)12-8-17/h7-14,25H,6,15-16H2,1-5H3,(H,24,26)
InChIKeyULOCGOVAAFWSAV-UHFFFAOYSA-N
XLogP5.01
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.50
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate
CID 118973665
tert-butyl N-[3-[4-(sulfanylamino)phenoxy]propyl]carbamate
CID 23525758
tert-butyl N-[3-[4-[2-[4-[[3-(dimethylcarbamoyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propan-2-yl]phenoxy]propyl]carbamate
CID 167437371
tert-butyl N-[2-(4-methylphenoxy)ethyl]carbamate;ethane
CID 153377794
methyl 2-hydroxy-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate
CID 3316729
tert-butyl N-[3-[4-[2-[4-[[2-(triazol-1-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]propyl]carbamate
CID 167437241
tert-butyl N-[2-[4-(hydroxymethyl)phenoxy]ethyl]carbamate
CID 122451762
tert-butyl N-[2-[4-(sulfanylmethyl)phenoxy]ethyl]carbamate
CID 122463054
tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate
CID 139950407
tert-butyl N-[3-[4-(2-methoxyethoxy)anilino]propyl]carbamate
CID 103821818
tert-butyl N-[2-[4-(3-hydroxypropyl)phenoxy]ethyl]carbamate
CID 162639917
tert-butyl N-[3-[5-(4-carbamoylphenoxy)pentoxy]propyl]carbamate
CID 144947801

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propyl]carbamate (CID 167437352) is tert-butyl N-[3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propyl]carbamate is CC(C)(C)OC(=O)NCCCOc1ccc(C(C)(C)c2ccc(O)cc2)cc1.
What is the InChIKey of tert-butyl N-[3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propyl]carbamate?
The InChIKey is ULOCGOVAAFWSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-22(2,3)28-21(26)24-15-6-16-27-20-13-9-18(10-14-20)23(4,5)17-7-11-19(25)12-8-17/h7-14,25H,6,15-16H2,1-5H3,(H,24,26).
What are the key properties of tert-butyl N-[3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propyl]carbamate?
tert-butyl N-[3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propyl]carbamate has a molecular weight of 385.50 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propyl]carbamate is sourced from PubChem (CID 167437352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).