4-amino-3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide

C12H21F3N2O2 — CID 103154794

IUPAC4-amino-3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide
SMILESCOC(CN)CC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c1-19-10(7-16)6-11(18)17-9-4-2-3-8(5-9)12(13,14)15/h8-10H,2-7,16H2,1H3,(H,17,18)
InChIKeyAOZZXSHIEDNEBC-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.59
Rot. Bonds5

About 4-amino-3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide

4-amino-3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide (PubChem CID 103154794) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide
PubChem CID103154794
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name4-amino-3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide
SMILESCOC(CN)CC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c1-19-10(7-16)6-11(18)17-9-4-2-3-8(5-9)12(13,14)15/h8-10H,2-7,16H2,1H3,(H,17,18)
InChIKeyAOZZXSHIEDNEBC-UHFFFAOYSA-N
XLogP1.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide (CID 103154794) is 4-amino-3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide is COC(CN)CC(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4-amino-3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
The InChIKey is AOZZXSHIEDNEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-19-10(7-16)6-11(18)17-9-4-2-3-8(5-9)12(13,14)15/h8-10H,2-7,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
4-amino-3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide has a molecular weight of 282.31 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide is sourced from PubChem (CID 103154794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).