tert-butyl N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propyl]carbamate

C18H28N2O3 — CID 107248561

IUPACtert-butyl N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC1CCCc2cc(O)ccc21
InChIInChI=1S/C18H28N2O3/c1-12(11-19-17(22)23-18(2,3)4)20-16-7-5-6-13-10-14(21)8-9-15(13)16/h8-10,12,16,20-21H,5-7,11H2,1-4H3,(H,19,22)
InChIKeyLGKVYQJQVZPOCI-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.27
Rot. Bonds4

About tert-butyl N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propyl]carbamate

tert-butyl N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propyl]carbamate (PubChem CID 107248561) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propyl]carbamate
PubChem CID107248561
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC1CCCc2cc(O)ccc21
InChIInChI=1S/C18H28N2O3/c1-12(11-19-17(22)23-18(2,3)4)20-16-7-5-6-13-10-14(21)8-9-15(13)16/h8-10,12,16,20-21H,5-7,11H2,1-4H3,(H,19,22)
InChIKeyLGKVYQJQVZPOCI-UHFFFAOYSA-N
XLogP3.27
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]propyl]carbamate
CID 107248143
tert-butyl N-[1-(4-hydroxybutan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
CID 103911992
tert-butyl N-[(1S)-6-[(1R)-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 129385774
tert-butyl N-[2-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propyl]carbamate
CID 103388174
2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propane-1,3-diol
CID 65310523
tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]butyl]carbamate
CID 107251370
tert-butyl N-[1-(pentan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
CID 103730984
tert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate
CID 107682749
tert-butyl N-[2-(cycloheptylamino)propyl]carbamate
CID 103387396
tert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate
CID 107682742
tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate
CID 107248356
tert-butyl N-[2-cyclopropyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethyl]carbamate
CID 103785754

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propyl]carbamate (CID 107248561) is tert-butyl N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NC1CCCc2cc(O)ccc21.
What is the InChIKey of tert-butyl N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propyl]carbamate?
The InChIKey is LGKVYQJQVZPOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-12(11-19-17(22)23-18(2,3)4)20-16-7-5-6-13-10-14(21)8-9-15(13)16/h8-10,12,16,20-21H,5-7,11H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propyl]carbamate?
tert-butyl N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propyl]carbamate has a molecular weight of 320.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propyl]carbamate is sourced from PubChem (CID 107248561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).