4-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide

C14H25F3N2O — CID 60850841

IUPAC4-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide
SMILESCC(C)NCCCC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O/c1-10(2)18-9-3-4-13(20)19-12-7-5-11(6-8-12)14(15,16)17/h10-12,18H,3-9H2,1-2H3,(H,19,20)
InChIKeyIMAVNTIUOWBLFR-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.00
Rot. Bonds6

About 4-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide

4-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide (PubChem CID 60850841) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name4-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide
PubChem CID60850841
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name4-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide
SMILESCC(C)NCCCC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O/c1-10(2)18-9-3-4-13(20)19-12-7-5-11(6-8-12)14(15,16)17/h10-12,18H,3-9H2,1-2H3,(H,19,20)
InChIKeyIMAVNTIUOWBLFR-UHFFFAOYSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide?
The IUPAC name of 4-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide (CID 60850841) is 4-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide.
What is the SMILES notation for 4-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide?
The canonical SMILES for 4-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide is CC(C)NCCCC(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide?
The InChIKey is IMAVNTIUOWBLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-10(2)18-9-3-4-13(20)19-12-7-5-11(6-8-12)14(15,16)17/h10-12,18H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 4-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide?
4-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide has a molecular weight of 294.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide is sourced from PubChem (CID 60850841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).