tert-butyl N-[4-[4-(2-hydroxyethoxy)phenyl]butyl]carbamate

C17H27NO4 — CID 11500545

IUPACtert-butyl N-[4-[4-(2-hydroxyethoxy)phenyl]butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCc1ccc(OCCO)cc1
InChIInChI=1S/C17H27NO4/c1-17(2,3)22-16(20)18-11-5-4-6-14-7-9-15(10-8-14)21-13-12-19/h7-10,19H,4-6,11-13H2,1-3H3,(H,18,20)
InChIKeyIVIXTGYUONJTJZ-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.91
Rot. Bonds8

About tert-butyl N-[4-[4-(2-hydroxyethoxy)phenyl]butyl]carbamate

tert-butyl N-[4-[4-(2-hydroxyethoxy)phenyl]butyl]carbamate (PubChem CID 11500545) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl N-[4-[4-(2-hydroxyethoxy)phenyl]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[4-(2-hydroxyethoxy)phenyl]butyl]carbamate
PubChem CID11500545
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Nametert-butyl N-[4-[4-(2-hydroxyethoxy)phenyl]butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCc1ccc(OCCO)cc1
InChIInChI=1S/C17H27NO4/c1-17(2,3)22-16(20)18-11-5-4-6-14-7-9-15(10-8-14)21-13-12-19/h7-10,19H,4-6,11-13H2,1-3H3,(H,18,20)
InChIKeyIVIXTGYUONJTJZ-UHFFFAOYSA-N
XLogP2.91
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.91
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-[2-[4-(3-hydroxypropyl)phenoxy]ethyl]carbamate
CID 162639917
tert-butyl N-[4-[4-[2-(pentan-3-ylamino)ethoxy]phenyl]butyl]carbamate
CID 142694596
tert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate
CID 11716285
tert-butyl N-[4-[4-[2-[bis[(2R,3S)-2,3,4-trihydroxybutyl]amino]ethoxy]phenyl]butyl]carbamate
CID 67367671
tert-butyl N-[2-[4-(hydroxymethyl)phenoxy]ethyl]carbamate
CID 122451762
2-[2-(4-pentylphenoxy)ethoxy]ethyl 6-[2-[2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenoxy]ethoxy]ethoxycarbonylamino]hexanoate
CID 157398980
tert-butyl N-[3-(4-methylphenyl)propyl]carbamate
CID 142219168
tert-butyl N-[2-[4-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 91185994
tert-butyl N-[2-[4-(sulfanylmethyl)phenoxy]ethyl]carbamate
CID 122463054
methyl (2S)-2-amino-3-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]phenyl]propanoate
CID 15850730
3-[4-[2-ethyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]phenyl]phenyl]propanoic acid
CID 175713513
tert-butyl N-[3-(4-aminophenyl)propyl]carbamate
CID 39353167

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[4-(2-hydroxyethoxy)phenyl]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-[4-(2-hydroxyethoxy)phenyl]butyl]carbamate (CID 11500545) is tert-butyl N-[4-[4-(2-hydroxyethoxy)phenyl]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[4-(2-hydroxyethoxy)phenyl]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[4-(2-hydroxyethoxy)phenyl]butyl]carbamate is CC(C)(C)OC(=O)NCCCCc1ccc(OCCO)cc1.
What is the InChIKey of tert-butyl N-[4-[4-(2-hydroxyethoxy)phenyl]butyl]carbamate?
The InChIKey is IVIXTGYUONJTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4/c1-17(2,3)22-16(20)18-11-5-4-6-14-7-9-15(10-8-14)21-13-12-19/h7-10,19H,4-6,11-13H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[4-[4-(2-hydroxyethoxy)phenyl]butyl]carbamate?
tert-butyl N-[4-[4-(2-hydroxyethoxy)phenyl]butyl]carbamate has a molecular weight of 309.41 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[4-(2-hydroxyethoxy)phenyl]butyl]carbamate is sourced from PubChem (CID 11500545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).