N-[3-(4-aminocyclohexyl)oxypropyl]-2-(2,2,2-trifluoroethoxy)acetamide

C13H23F3N2O3 — CID 103209454

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNC1CCC(OCCCNC(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O3/c14-13(15,16)9-20-8-12(19)18-6-1-7-21-11-4-2-10(17)3-5-11/h10-11H,1-9,17H2,(H,18,19)
InChIKeyNNUGRBWDRIBVIB-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.36
Rot. Bonds8

About N-[3-(4-aminocyclohexyl)oxypropyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[3-(4-aminocyclohexyl)oxypropyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103209454) has the molecular formula C13H23F3N2O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103209454
Molecular FormulaC13H23F3N2O3
Molecular Weight312.33 g/mol
Exact Mass312.17
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNC1CCC(OCCCNC(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O3/c14-13(15,16)9-20-8-12(19)18-6-1-7-21-11-4-2-10(17)3-5-11/h10-11H,1-9,17H2,(H,18,19)
InChIKeyNNUGRBWDRIBVIB-UHFFFAOYSA-N
XLogP1.36
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103209454) is N-[3-(4-aminocyclohexyl)oxypropyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]-2-(2,2,2-trifluoroethoxy)acetamide is NC1CCC(OCCCNC(=O)COCC(F)(F)F)CC1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is NNUGRBWDRIBVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O3/c14-13(15,16)9-20-8-12(19)18-6-1-7-21-11-4-2-10(17)3-5-11/h10-11H,1-9,17H2,(H,18,19).
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[3-(4-aminocyclohexyl)oxypropyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 312.33 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminocyclohexyl)oxypropyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103209454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).