N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-3,3-dimethylbutanamide

C22H35FN2O — CID 66994456

IUPACN-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-3,3-dimethylbutanamide
SMILESCN(C)C(c1ccc(F)cc1)C1CCC(CNC(=O)CC(C)(C)C)CC1
InChIInChI=1S/C22H35FN2O/c1-22(2,3)14-20(26)24-15-16-6-8-17(9-7-16)21(25(4)5)18-10-12-19(23)13-11-18/h10-13,16-17,21H,6-9,14-15H2,1-5H3,(H,24,26)
InChIKeyMSEBZEDTPXTYMB-UHFFFAOYSA-N
MW362.53 g/mol
LogP4.79
Rot. Bonds6

About N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-3,3-dimethylbutanamide

N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-3,3-dimethylbutanamide (PubChem CID 66994456) has the molecular formula C22H35FN2O and a molecular weight of 362.53 g/mol. Its IUPAC name is N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-3,3-dimethylbutanamide
PubChem CID66994456
Molecular FormulaC22H35FN2O
Molecular Weight362.53 g/mol
Exact Mass362.27
IUPAC NameN-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-3,3-dimethylbutanamide
SMILESCN(C)C(c1ccc(F)cc1)C1CCC(CNC(=O)CC(C)(C)C)CC1
InChIInChI=1S/C22H35FN2O/c1-22(2,3)14-20(26)24-15-16-6-8-17(9-7-16)21(25(4)5)18-10-12-19(23)13-11-18/h10-13,16-17,21H,6-9,14-15H2,1-5H3,(H,24,26)
InChIKeyMSEBZEDTPXTYMB-UHFFFAOYSA-N
XLogP4.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.53
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-3,3-dimethylbutanamide (CID 66994456) is N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-3,3-dimethylbutanamide is CN(C)C(c1ccc(F)cc1)C1CCC(CNC(=O)CC(C)(C)C)CC1.
What is the InChIKey of N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-3,3-dimethylbutanamide?
The InChIKey is MSEBZEDTPXTYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35FN2O/c1-22(2,3)14-20(26)24-15-16-6-8-17(9-7-16)21(25(4)5)18-10-12-19(23)13-11-18/h10-13,16-17,21H,6-9,14-15H2,1-5H3,(H,24,26).
What are the key properties of N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-3,3-dimethylbutanamide?
N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-3,3-dimethylbutanamide has a molecular weight of 362.53 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 66994456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).