hexyl N-[2-[hexoxycarbonyl-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]amino]ethyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate

C32H56F6N4O6 — CID 150139824

IUPAChexyl N-[2-[hexoxycarbonyl-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]amino]ethyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate
SMILESCCCCCCOC(=O)N(CCCCCCNC(=O)C(F)(F)F)CCN(CCCCCCNC(=O)C(F)(F)F)C(=O)OCCCCCC
InChIInChI=1S/C32H56F6N4O6/c1-3-5-7-17-25-47-29(45)41(21-15-11-9-13-19-39-27(43)31(33,34)35)23-24-42(30(46)48-26-18-8-6-4-2)22-16-12-10-14-20-40-28(44)32(36,37)38/h3-26H2,1-2H3,(H,39,43)(H,40,44)
InChIKeyFDARKZZEKAZPRG-UHFFFAOYSA-N
MW706.81 g/mol
LogP7.50
Rot. Bonds27

About hexyl N-[2-[hexoxycarbonyl-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]amino]ethyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate

hexyl N-[2-[hexoxycarbonyl-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]amino]ethyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate (PubChem CID 150139824) has the molecular formula C32H56F6N4O6 and a molecular weight of 706.81 g/mol. Its IUPAC name is hexyl N-[2-[hexoxycarbonyl-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]amino]ethyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate.

Molecular Properties

Compound Namehexyl N-[2-[hexoxycarbonyl-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]amino]ethyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate
PubChem CID150139824
Molecular FormulaC32H56F6N4O6
Molecular Weight706.81 g/mol
Exact Mass706.41
IUPAC Namehexyl N-[2-[hexoxycarbonyl-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]amino]ethyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate
SMILESCCCCCCOC(=O)N(CCCCCCNC(=O)C(F)(F)F)CCN(CCCCCCNC(=O)C(F)(F)F)C(=O)OCCCCCC
InChIInChI=1S/C32H56F6N4O6/c1-3-5-7-17-25-47-29(45)41(21-15-11-9-13-19-39-27(43)31(33,34)35)23-24-42(30(46)48-26-18-8-6-4-2)22-16-12-10-14-20-40-28(44)32(36,37)38/h3-26H2,1-2H3,(H,39,43)(H,40,44)
InChIKeyFDARKZZEKAZPRG-UHFFFAOYSA-N
XLogP7.50
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.81
LogP ≤ 57.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze hexyl N-[2-[hexoxycarbonyl-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]amino]ethyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexyl N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]carbamate
CID 162211687
butyl N-[7-[(2,2,2-trifluoroacetyl)amino]heptyl]-N-[8-[(2,2,2-trifluoroacetyl)amino]octyl]carbamate
CID 162144801
butyl N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate
CID 154195296
octyl N,N-di(nonyl)carbamate
CID 168918776
octyl N,N-di(undecyl)carbamate
CID 168918683
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
propyl N,N-diheptylcarbamate
CID 168918832
undecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
CID 91693601
N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide
CID 130756999
tert-butyl 4-[(2,2,2-trifluoroacetyl)amino]butyl carbonate
CID 152610717
ethyl N,N-di(heptadecyl)carbamate
CID 70629745

Frequently Asked Questions

What is the IUPAC name of hexyl N-[2-[hexoxycarbonyl-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]amino]ethyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate?
The IUPAC name of hexyl N-[2-[hexoxycarbonyl-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]amino]ethyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate (CID 150139824) is hexyl N-[2-[hexoxycarbonyl-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]amino]ethyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate.
What is the SMILES notation for hexyl N-[2-[hexoxycarbonyl-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]amino]ethyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate?
The canonical SMILES for hexyl N-[2-[hexoxycarbonyl-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]amino]ethyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate is CCCCCCOC(=O)N(CCCCCCNC(=O)C(F)(F)F)CCN(CCCCCCNC(=O)C(F)(F)F)C(=O)OCCCCCC.
What is the InChIKey of hexyl N-[2-[hexoxycarbonyl-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]amino]ethyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate?
The InChIKey is FDARKZZEKAZPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56F6N4O6/c1-3-5-7-17-25-47-29(45)41(21-15-11-9-13-19-39-27(43)31(33,34)35)23-24-42(30(46)48-26-18-8-6-4-2)22-16-12-10-14-20-40-28(44)32(36,37)38/h3-26H2,1-2H3,(H,39,43)(H,40,44).
What are the key properties of hexyl N-[2-[hexoxycarbonyl-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]amino]ethyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate?
hexyl N-[2-[hexoxycarbonyl-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]amino]ethyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate has a molecular weight of 706.81 g/mol, XLogP of 7.50, 27 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl N-[2-[hexoxycarbonyl-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]amino]ethyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate is sourced from PubChem (CID 150139824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).