2-(butan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide

C14H25F3N2O2 — CID 60854463

IUPAC2-(butan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
SMILESCCC(C)NCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O2/c1-3-10(2)18-8-13(20)19-11-5-4-6-12(7-11)21-9-14(15,16)17/h10-12,18H,3-9H2,1-2H3,(H,19,20)
InChIKeyXSZIJNOJRQLPTP-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.38
Rot. Bonds7

About 2-(butan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide

2-(butan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide (PubChem CID 60854463) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
PubChem CID60854463
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name2-(butan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
SMILESCCC(C)NCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O2/c1-3-10(2)18-8-13(20)19-11-5-4-6-12(7-11)21-9-14(15,16)17/h10-12,18H,3-9H2,1-2H3,(H,19,20)
InChIKeyXSZIJNOJRQLPTP-UHFFFAOYSA-N
XLogP2.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(butan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide (CID 60854463) is 2-(butan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide is CCC(C)NCC(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 2-(butan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The InChIKey is XSZIJNOJRQLPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-3-10(2)18-8-13(20)19-11-5-4-6-12(7-11)21-9-14(15,16)17/h10-12,18H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 2-(butan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
2-(butan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide has a molecular weight of 310.36 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide is sourced from PubChem (CID 60854463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).