N-[[4-[(R)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide

C23H30FN3O — CID 98136078

IUPACN-[[4-[(R)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide
SMILESCN(C)[C@@H](c1ccccn1)C1CCC(CNC(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C23H30FN3O/c1-27(2)23(21-9-5-6-14-25-21)18-12-10-17(11-13-18)16-26-22(28)15-19-7-3-4-8-20(19)24/h3-9,14,17-18,23H,10-13,15-16H2,1-2H3,(H,26,28)/t17?,18?,23-/m1/s1
InChIKeyAKQJVCYMGPJCCQ-QPFKGPCDSA-N
MW383.51 g/mol
LogP3.99
Rot. Bonds7

About N-[[4-[(R)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide

N-[[4-[(R)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide (PubChem CID 98136078) has the molecular formula C23H30FN3O and a molecular weight of 383.51 g/mol. Its IUPAC name is N-[[4-[(R)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[4-[(R)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide
PubChem CID98136078
Molecular FormulaC23H30FN3O
Molecular Weight383.51 g/mol
Exact Mass383.24
IUPAC NameN-[[4-[(R)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide
SMILESCN(C)[C@@H](c1ccccn1)C1CCC(CNC(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C23H30FN3O/c1-27(2)23(21-9-5-6-14-25-21)18-12-10-17(11-13-18)16-26-22(28)15-19-7-3-4-8-20(19)24/h3-9,14,17-18,23H,10-13,15-16H2,1-2H3,(H,26,28)/t17?,18?,23-/m1/s1
InChIKeyAKQJVCYMGPJCCQ-QPFKGPCDSA-N
XLogP3.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(R)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide with MolForge

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Related Compounds

N-[[4-[(S)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide
CID 98136069
N-[[4-[dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide
CID 110241959
2-(2-fluorophenyl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
CID 98065267
N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-phenylacetamide
CID 110241906
N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide
CID 67357717
N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(4-methylphenyl)acetamide
CID 110241919
N-[(S)-[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2-(3-fluorophenyl)acetamide
CID 98136163
3-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]propanamide
CID 66702807
N-[[4-[(R)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-3-methylbutanamide
CID 98135945
2-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]acetamide
CID 66703268
N-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]methyl]-2-thiophen-2-ylacetamide
CID 66994303
N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-3,3-dimethylbutanamide
CID 66994456

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(R)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[[4-[(R)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide (CID 98136078) is N-[[4-[(R)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[[4-[(R)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[[4-[(R)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide is CN(C)[C@@H](c1ccccn1)C1CCC(CNC(=O)Cc2ccccc2F)CC1.
What is the InChIKey of N-[[4-[(R)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is AKQJVCYMGPJCCQ-QPFKGPCDSA-N. The full InChI is InChI=1S/C23H30FN3O/c1-27(2)23(21-9-5-6-14-25-21)18-12-10-17(11-13-18)16-26-22(28)15-19-7-3-4-8-20(19)24/h3-9,14,17-18,23H,10-13,15-16H2,1-2H3,(H,26,28)/t17?,18?,23-/m1/s1.
What are the key properties of N-[[4-[(R)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide?
N-[[4-[(R)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 383.51 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(R)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 98136078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).