tert-butyl N-[5-[2-[2-[5-(cyclohexanecarbonylamino)pentoxy]ethoxy]ethoxy]pentyl]carbamate

C26H50N2O6 — CID 142616129

IUPACtert-butyl N-[5-[2-[2-[5-(cyclohexanecarbonylamino)pentoxy]ethoxy]ethoxy]pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCOCCOCCOCCCCCNC(=O)C1CCCCC1
InChIInChI=1S/C26H50N2O6/c1-26(2,3)34-25(30)28-16-10-6-12-18-32-20-22-33-21-19-31-17-11-5-9-15-27-24(29)23-13-7-4-8-14-23/h23H,4-22H2,1-3H3,(H,27,29)(H,28,30)
InChIKeySUXYJILOPIZZJR-UHFFFAOYSA-N
MW486.69 g/mol
LogP4.60
Rot. Bonds19

About tert-butyl N-[5-[2-[2-[5-(cyclohexanecarbonylamino)pentoxy]ethoxy]ethoxy]pentyl]carbamate

tert-butyl N-[5-[2-[2-[5-(cyclohexanecarbonylamino)pentoxy]ethoxy]ethoxy]pentyl]carbamate (PubChem CID 142616129) has the molecular formula C26H50N2O6 and a molecular weight of 486.69 g/mol. Its IUPAC name is tert-butyl N-[5-[2-[2-[5-(cyclohexanecarbonylamino)pentoxy]ethoxy]ethoxy]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[2-[2-[5-(cyclohexanecarbonylamino)pentoxy]ethoxy]ethoxy]pentyl]carbamate
PubChem CID142616129
Molecular FormulaC26H50N2O6
Molecular Weight486.69 g/mol
Exact Mass486.37
IUPAC Nametert-butyl N-[5-[2-[2-[5-(cyclohexanecarbonylamino)pentoxy]ethoxy]ethoxy]pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCOCCOCCOCCCCCNC(=O)C1CCCCC1
InChIInChI=1S/C26H50N2O6/c1-26(2,3)34-25(30)28-16-10-6-12-18-32-20-22-33-21-19-31-17-11-5-9-15-27-24(29)23-13-7-4-8-14-23/h23H,4-22H2,1-3H3,(H,27,29)(H,28,30)
InChIKeySUXYJILOPIZZJR-UHFFFAOYSA-N
XLogP4.60
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.69
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[3-(cyclohexanecarbonylamino)propylamino]-3-oxopropyl]carbamate
CID 108921552
tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate
CID 58725633
tert-butyl N-[2-[2-[2-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]cyclohexanecarbonyl]amino]ethoxy]ethoxy]ethyl]carbamate
CID 23626027
tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
CID 10590220
2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]cyclohexane-1-carboxylic acid
CID 71264419
N-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide
CID 106307600
tert-butyl N-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethyl]carbamate
CID 177120478
tert-butyl N-[4-(2-iodoethoxy)butyl]carbamate
CID 171066422
tert-butyl N-[4-(hydroxymethoxy)butyl]carbamate
CID 87889000
tert-butyl N-(cyclododecanecarbonylamino)carbamate
CID 175503254
(2S)-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]piperidine-1-carboxylic acid
CID 148549312
2-(cyclopentanecarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 14181530

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[2-[2-[5-(cyclohexanecarbonylamino)pentoxy]ethoxy]ethoxy]pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-[2-[2-[5-(cyclohexanecarbonylamino)pentoxy]ethoxy]ethoxy]pentyl]carbamate (CID 142616129) is tert-butyl N-[5-[2-[2-[5-(cyclohexanecarbonylamino)pentoxy]ethoxy]ethoxy]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[2-[2-[5-(cyclohexanecarbonylamino)pentoxy]ethoxy]ethoxy]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[2-[2-[5-(cyclohexanecarbonylamino)pentoxy]ethoxy]ethoxy]pentyl]carbamate is CC(C)(C)OC(=O)NCCCCCOCCOCCOCCCCCNC(=O)C1CCCCC1.
What is the InChIKey of tert-butyl N-[5-[2-[2-[5-(cyclohexanecarbonylamino)pentoxy]ethoxy]ethoxy]pentyl]carbamate?
The InChIKey is SUXYJILOPIZZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N2O6/c1-26(2,3)34-25(30)28-16-10-6-12-18-32-20-22-33-21-19-31-17-11-5-9-15-27-24(29)23-13-7-4-8-14-23/h23H,4-22H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of tert-butyl N-[5-[2-[2-[5-(cyclohexanecarbonylamino)pentoxy]ethoxy]ethoxy]pentyl]carbamate?
tert-butyl N-[5-[2-[2-[5-(cyclohexanecarbonylamino)pentoxy]ethoxy]ethoxy]pentyl]carbamate has a molecular weight of 486.69 g/mol, XLogP of 4.60, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[2-[2-[5-(cyclohexanecarbonylamino)pentoxy]ethoxy]ethoxy]pentyl]carbamate is sourced from PubChem (CID 142616129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).