tert-butyl N-[2-[4-(3-hydroxypropyl)phenoxy]ethyl]carbamate

C16H25NO4 — CID 162639917

IUPACtert-butyl N-[2-[4-(3-hydroxypropyl)phenoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccc(CCCO)cc1
InChIInChI=1S/C16H25NO4/c1-16(2,3)21-15(19)17-10-12-20-14-8-6-13(7-9-14)5-4-11-18/h6-9,18H,4-5,10-12H2,1-3H3,(H,17,19)
InChIKeyQDHMAZWBMIQIQD-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.52
Rot. Bonds7

About tert-butyl N-[2-[4-(3-hydroxypropyl)phenoxy]ethyl]carbamate

tert-butyl N-[2-[4-(3-hydroxypropyl)phenoxy]ethyl]carbamate (PubChem CID 162639917) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(3-hydroxypropyl)phenoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(3-hydroxypropyl)phenoxy]ethyl]carbamate
PubChem CID162639917
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Nametert-butyl N-[2-[4-(3-hydroxypropyl)phenoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccc(CCCO)cc1
InChIInChI=1S/C16H25NO4/c1-16(2,3)21-15(19)17-10-12-20-14-8-6-13(7-9-14)5-4-11-18/h6-9,18H,4-5,10-12H2,1-3H3,(H,17,19)
InChIKeyQDHMAZWBMIQIQD-UHFFFAOYSA-N
XLogP2.52
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.52
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-[4-[4-(2-hydroxyethoxy)phenyl]butyl]carbamate
CID 11500545
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-[4-[4-[2-(pentan-3-ylamino)ethoxy]phenyl]butyl]carbamate
CID 142694596
tert-butyl N-[2-(4-methylphenoxy)ethyl]carbamate;ethane
CID 153377794
tert-butyl N-[2-[4-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 91185994
tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate
CID 139950407
tert-butyl N-[3-[4-(sulfanylamino)phenoxy]propyl]carbamate
CID 23525758
tert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate
CID 11716285
S-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl] ethanethioate
CID 87773813
[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl] propanoate
CID 54575055
tert-butyl N-[2-[4-(4-aminophenyl)phenoxy]ethyl]carbamate
CID 139950416

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(3-hydroxypropyl)phenoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(3-hydroxypropyl)phenoxy]ethyl]carbamate (CID 162639917) is tert-butyl N-[2-[4-(3-hydroxypropyl)phenoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(3-hydroxypropyl)phenoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(3-hydroxypropyl)phenoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOc1ccc(CCCO)cc1.
What is the InChIKey of tert-butyl N-[2-[4-(3-hydroxypropyl)phenoxy]ethyl]carbamate?
The InChIKey is QDHMAZWBMIQIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-16(2,3)21-15(19)17-10-12-20-14-8-6-13(7-9-14)5-4-11-18/h6-9,18H,4-5,10-12H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[2-[4-(3-hydroxypropyl)phenoxy]ethyl]carbamate?
tert-butyl N-[2-[4-(3-hydroxypropyl)phenoxy]ethyl]carbamate has a molecular weight of 295.38 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(3-hydroxypropyl)phenoxy]ethyl]carbamate is sourced from PubChem (CID 162639917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).