butyl N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate

C19H31F6N3O4 — CID 154195296

IUPACbutyl N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate
SMILESCCCCOC(=O)N(CCCCCCNC(=O)C(F)(F)F)CCCCNC(=O)C(F)(F)F
InChIInChI=1S/C19H31F6N3O4/c1-2-3-14-32-17(31)28(13-9-7-11-27-16(30)19(23,24)25)12-8-5-4-6-10-26-15(29)18(20,21)22/h2-14H2,1H3,(H,26,29)(H,27,30)
InChIKeyVHLQLXPUZAAEBK-UHFFFAOYSA-N
MW479.46 g/mol
LogP3.92
Rot. Bonds15

About butyl N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate

butyl N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate (PubChem CID 154195296) has the molecular formula C19H31F6N3O4 and a molecular weight of 479.46 g/mol. Its IUPAC name is butyl N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate.

Molecular Properties

Compound Namebutyl N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate
PubChem CID154195296
Molecular FormulaC19H31F6N3O4
Molecular Weight479.46 g/mol
Exact Mass479.22
IUPAC Namebutyl N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate
SMILESCCCCOC(=O)N(CCCCCCNC(=O)C(F)(F)F)CCCCNC(=O)C(F)(F)F
InChIInChI=1S/C19H31F6N3O4/c1-2-3-14-32-17(31)28(13-9-7-11-27-16(30)19(23,24)25)12-8-5-4-6-10-26-15(29)18(20,21)22/h2-14H2,1H3,(H,26,29)(H,27,30)
InChIKeyVHLQLXPUZAAEBK-UHFFFAOYSA-N
XLogP3.92
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butyl N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-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

butyl N-[7-[(2,2,2-trifluoroacetyl)amino]heptyl]-N-[8-[(2,2,2-trifluoroacetyl)amino]octyl]carbamate
CID 162144801
hexyl N-[2-[hexoxycarbonyl-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]amino]ethyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate
CID 150139824
hexyl N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]carbamate
CID 162211687
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
octyl N,N-di(nonyl)carbamate
CID 168918776
octyl N,N-di(undecyl)carbamate
CID 168918683
propyl N,N-diheptylcarbamate
CID 168918832
butyl 2,6-bis[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 527830
undecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
CID 91693601
methyl-[(2R)-4-[phenylmethoxycarbonyl-[4-[(2,2,2-trifluoroacetyl)amino]butyl]amino]butan-2-yl]carbamic acid
CID 21308379
N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide
CID 130756999

Frequently Asked Questions

What is the IUPAC name of butyl N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate?
The IUPAC name of butyl N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate (CID 154195296) is butyl N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate.
What is the SMILES notation for butyl N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate?
The canonical SMILES for butyl N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate is CCCCOC(=O)N(CCCCCCNC(=O)C(F)(F)F)CCCCNC(=O)C(F)(F)F.
What is the InChIKey of butyl N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate?
The InChIKey is VHLQLXPUZAAEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31F6N3O4/c1-2-3-14-32-17(31)28(13-9-7-11-27-16(30)19(23,24)25)12-8-5-4-6-10-26-15(29)18(20,21)22/h2-14H2,1H3,(H,26,29)(H,27,30).
What are the key properties of butyl N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate?
butyl N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate has a molecular weight of 479.46 g/mol, XLogP of 3.92, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate is sourced from PubChem (CID 154195296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).