tert-butyl N-[6-[[2-hydroxy-2-(2-hydroxyphenyl)acetyl]amino]hexyl]carbamate

C19H30N2O5 — CID 118334826

IUPACtert-butyl N-[6-[[2-hydroxy-2-(2-hydroxyphenyl)acetyl]amino]hexyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCNC(=O)C(O)c1ccccc1O
InChIInChI=1S/C19H30N2O5/c1-19(2,3)26-18(25)21-13-9-5-4-8-12-20-17(24)16(23)14-10-6-7-11-15(14)22/h6-7,10-11,16,22-23H,4-5,8-9,12-13H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyQLMPEHWQDXRIDX-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.63
Rot. Bonds9

About tert-butyl N-[6-[[2-hydroxy-2-(2-hydroxyphenyl)acetyl]amino]hexyl]carbamate

tert-butyl N-[6-[[2-hydroxy-2-(2-hydroxyphenyl)acetyl]amino]hexyl]carbamate (PubChem CID 118334826) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is tert-butyl N-[6-[[2-hydroxy-2-(2-hydroxyphenyl)acetyl]amino]hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[[2-hydroxy-2-(2-hydroxyphenyl)acetyl]amino]hexyl]carbamate
PubChem CID118334826
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Nametert-butyl N-[6-[[2-hydroxy-2-(2-hydroxyphenyl)acetyl]amino]hexyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCNC(=O)C(O)c1ccccc1O
InChIInChI=1S/C19H30N2O5/c1-19(2,3)26-18(25)21-13-9-5-4-8-12-20-17(24)16(23)14-10-6-7-11-15(14)22/h6-7,10-11,16,22-23H,4-5,8-9,12-13H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyQLMPEHWQDXRIDX-UHFFFAOYSA-N
XLogP2.63
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[6-[[2-hydroxy-2-(2-hydroxyphenyl)acetyl]amino]hexyl]carbamate with MolForge

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Related Compounds

3-(2-hydroxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 167714337
tert-butyl N-[2-[[1-(2-hydroxyphenyl)-2-oxo-2-(pentylamino)ethyl]-propan-2-ylamino]-2-oxoethyl]carbamate
CID 18017382
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885
tert-butyl N-[6-(benzylamino)hexyl]carbamate
CID 10913810
8-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-yloctanoic acid
CID 90182349
tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate
CID 52859596
tert-butyl N-[4-[(2-sulfanylbenzoyl)amino]butyl]carbamate
CID 170912768
tert-butyl N-[3-(2,3-dihydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833404
tert-butyl N-[(5S)-5,6-bis[(2-hydroxyphenyl)methylideneamino]hexyl]carbamate;copper
CID 135501133
tert-butyl N-[1-[[1-(2-hydroxyphenyl)-2-oxo-2-(pentylamino)ethyl]-propan-2-ylamino]-1-oxopropan-2-yl]carbamate
CID 18011682
tert-butyl N-[(1R)-1-(2-hydroxyphenyl)propyl]carbamate
CID 52908303
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[[2-hydroxy-2-(2-hydroxyphenyl)acetyl]amino]hexyl]carbamate?
The IUPAC name of tert-butyl N-[6-[[2-hydroxy-2-(2-hydroxyphenyl)acetyl]amino]hexyl]carbamate (CID 118334826) is tert-butyl N-[6-[[2-hydroxy-2-(2-hydroxyphenyl)acetyl]amino]hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[[2-hydroxy-2-(2-hydroxyphenyl)acetyl]amino]hexyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[[2-hydroxy-2-(2-hydroxyphenyl)acetyl]amino]hexyl]carbamate is CC(C)(C)OC(=O)NCCCCCCNC(=O)C(O)c1ccccc1O.
What is the InChIKey of tert-butyl N-[6-[[2-hydroxy-2-(2-hydroxyphenyl)acetyl]amino]hexyl]carbamate?
The InChIKey is QLMPEHWQDXRIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5/c1-19(2,3)26-18(25)21-13-9-5-4-8-12-20-17(24)16(23)14-10-6-7-11-15(14)22/h6-7,10-11,16,22-23H,4-5,8-9,12-13H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of tert-butyl N-[6-[[2-hydroxy-2-(2-hydroxyphenyl)acetyl]amino]hexyl]carbamate?
tert-butyl N-[6-[[2-hydroxy-2-(2-hydroxyphenyl)acetyl]amino]hexyl]carbamate has a molecular weight of 366.46 g/mol, XLogP of 2.63, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[[2-hydroxy-2-(2-hydroxyphenyl)acetyl]amino]hexyl]carbamate is sourced from PubChem (CID 118334826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).