benzyl N-(1-amino-2,2,2-trifluoroethyl)-N-(3-cyclohexylpropyl)carbamate

C19H27F3N2O2 — CID 141142741

IUPACbenzyl N-(1-amino-2,2,2-trifluoroethyl)-N-(3-cyclohexylpropyl)carbamate
SMILESNC(N(CCCC1CCCCC1)C(=O)OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C19H27F3N2O2/c20-19(21,22)17(23)24(13-7-12-15-8-3-1-4-9-15)18(25)26-14-16-10-5-2-6-11-16/h2,5-6,10-11,15,17H,1,3-4,7-9,12-14,23H2
InChIKeyBIQFORKSUBVWCH-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.83
Rot. Bonds7

About benzyl N-(1-amino-2,2,2-trifluoroethyl)-N-(3-cyclohexylpropyl)carbamate

benzyl N-(1-amino-2,2,2-trifluoroethyl)-N-(3-cyclohexylpropyl)carbamate (PubChem CID 141142741) has the molecular formula C19H27F3N2O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is benzyl N-(1-amino-2,2,2-trifluoroethyl)-N-(3-cyclohexylpropyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-amino-2,2,2-trifluoroethyl)-N-(3-cyclohexylpropyl)carbamate
PubChem CID141142741
Molecular FormulaC19H27F3N2O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC Namebenzyl N-(1-amino-2,2,2-trifluoroethyl)-N-(3-cyclohexylpropyl)carbamate
SMILESNC(N(CCCC1CCCCC1)C(=O)OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C19H27F3N2O2/c20-19(21,22)17(23)24(13-7-12-15-8-3-1-4-9-15)18(25)26-14-16-10-5-2-6-11-16/h2,5-6,10-11,15,17H,1,3-4,7-9,12-14,23H2
InChIKeyBIQFORKSUBVWCH-UHFFFAOYSA-N
XLogP4.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-amino-2,2,2-trifluoroethyl)-N-(3-cyclohexylpropyl)carbamate?
The IUPAC name of benzyl N-(1-amino-2,2,2-trifluoroethyl)-N-(3-cyclohexylpropyl)carbamate (CID 141142741) is benzyl N-(1-amino-2,2,2-trifluoroethyl)-N-(3-cyclohexylpropyl)carbamate.
What is the SMILES notation for benzyl N-(1-amino-2,2,2-trifluoroethyl)-N-(3-cyclohexylpropyl)carbamate?
The canonical SMILES for benzyl N-(1-amino-2,2,2-trifluoroethyl)-N-(3-cyclohexylpropyl)carbamate is NC(N(CCCC1CCCCC1)C(=O)OCc1ccccc1)C(F)(F)F.
What is the InChIKey of benzyl N-(1-amino-2,2,2-trifluoroethyl)-N-(3-cyclohexylpropyl)carbamate?
The InChIKey is BIQFORKSUBVWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O2/c20-19(21,22)17(23)24(13-7-12-15-8-3-1-4-9-15)18(25)26-14-16-10-5-2-6-11-16/h2,5-6,10-11,15,17H,1,3-4,7-9,12-14,23H2.
What are the key properties of benzyl N-(1-amino-2,2,2-trifluoroethyl)-N-(3-cyclohexylpropyl)carbamate?
benzyl N-(1-amino-2,2,2-trifluoroethyl)-N-(3-cyclohexylpropyl)carbamate has a molecular weight of 372.43 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-amino-2,2,2-trifluoroethyl)-N-(3-cyclohexylpropyl)carbamate is sourced from PubChem (CID 141142741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).