N-(dipentylcarbamoyl)-2,2,2-trifluoroacetamide

C13H23F3N2O2 — CID 71671979

IUPACN-(dipentylcarbamoyl)-2,2,2-trifluoroacetamide
SMILESCCCCCN(CCCCC)C(=O)NC(=O)C(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-3-5-7-9-18(10-8-6-4-2)12(20)17-11(19)13(14,15)16/h3-10H2,1-2H3,(H,17,19,20)
InChIKeyQFKYEEYLZOTIJP-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.47
Rot. Bonds8

About N-(dipentylcarbamoyl)-2,2,2-trifluoroacetamide

N-(dipentylcarbamoyl)-2,2,2-trifluoroacetamide (PubChem CID 71671979) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(dipentylcarbamoyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(dipentylcarbamoyl)-2,2,2-trifluoroacetamide
PubChem CID71671979
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC NameN-(dipentylcarbamoyl)-2,2,2-trifluoroacetamide
SMILESCCCCCN(CCCCC)C(=O)NC(=O)C(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-3-5-7-9-18(10-8-6-4-2)12(20)17-11(19)13(14,15)16/h3-10H2,1-2H3,(H,17,19,20)
InChIKeyQFKYEEYLZOTIJP-UHFFFAOYSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-pentyl-1-propylurea
CID 134269758
1,1,3-tri(undecyl)urea
CID 168918847
methane;1,1,3-trioctylurea
CID 163789497
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
1,1-dibutyl-3-tert-butylurea
CID 11413547
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
1-octyl-1,3-dipropylurea
CID 87897947
1-hexadecyl-1-(2-hydroxyethyl)-3-methylurea
CID 88673985
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

Frequently Asked Questions

What is the IUPAC name of N-(dipentylcarbamoyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(dipentylcarbamoyl)-2,2,2-trifluoroacetamide (CID 71671979) is N-(dipentylcarbamoyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(dipentylcarbamoyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(dipentylcarbamoyl)-2,2,2-trifluoroacetamide is CCCCCN(CCCCC)C(=O)NC(=O)C(F)(F)F.
What is the InChIKey of N-(dipentylcarbamoyl)-2,2,2-trifluoroacetamide?
The InChIKey is QFKYEEYLZOTIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-3-5-7-9-18(10-8-6-4-2)12(20)17-11(19)13(14,15)16/h3-10H2,1-2H3,(H,17,19,20).
What are the key properties of N-(dipentylcarbamoyl)-2,2,2-trifluoroacetamide?
N-(dipentylcarbamoyl)-2,2,2-trifluoroacetamide has a molecular weight of 296.33 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dipentylcarbamoyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 71671979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).