tert-butyl N-[2-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate

C18H30N2O3 — CID 107253639

IUPACtert-butyl N-[2-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC(C)c1ccc(O)cc1
InChIInChI=1S/C18H30N2O3/c1-6-7-15(12-19-17(22)23-18(3,4)5)20-13(2)14-8-10-16(21)11-9-14/h8-11,13,15,20-21H,6-7,12H2,1-5H3,(H,19,22)
InChIKeyLOVNWGXRWXYGRC-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.74
Rot. Bonds7

About tert-butyl N-[2-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate

tert-butyl N-[2-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate (PubChem CID 107253639) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate
PubChem CID107253639
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl N-[2-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC(C)c1ccc(O)cc1
InChIInChI=1S/C18H30N2O3/c1-6-7-15(12-19-17(22)23-18(3,4)5)20-13(2)14-8-10-16(21)11-9-14/h8-11,13,15,20-21H,6-7,12H2,1-5H3,(H,19,22)
InChIKeyLOVNWGXRWXYGRC-UHFFFAOYSA-N
XLogP3.74
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(1-pyridin-3-ylethylamino)pentyl]carbamate
CID 107253837
tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
CID 129383215
tert-butyl N-[2-[1-(2-fluorophenyl)ethylamino]pentyl]carbamate
CID 107253634
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
tert-butyl N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pentyl]carbamate
CID 107253757
tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]pentyl]carbamate
CID 107253798
tert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate
CID 103388764
tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)pentyl]carbamate
CID 107253648
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
tert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate
CID 103390477
tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate
CID 70806696
2-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 20564816

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate (CID 107253639) is tert-butyl N-[2-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate is CCCC(CNC(=O)OC(C)(C)C)NC(C)c1ccc(O)cc1.
What is the InChIKey of tert-butyl N-[2-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate?
The InChIKey is LOVNWGXRWXYGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-6-7-15(12-19-17(22)23-18(3,4)5)20-13(2)14-8-10-16(21)11-9-14/h8-11,13,15,20-21H,6-7,12H2,1-5H3,(H,19,22).
What are the key properties of tert-butyl N-[2-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate?
tert-butyl N-[2-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate is sourced from PubChem (CID 107253639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).