4-[[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide

C18H26FN3O2 — CID 98348179

IUPAC4-[[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide
SMILESCN(C)[C@@H](C(=O)NCC1CCC(C(N)=O)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H26FN3O2/c1-22(2)16(13-7-9-15(19)10-8-13)18(24)21-11-12-3-5-14(6-4-12)17(20)23/h7-10,12,14,16H,3-6,11H2,1-2H3,(H2,20,23)(H,21,24)/t12?,14?,16-/m1/s1
InChIKeyUZTDMAPMJAIAST-LDZOIKDWSA-N
MW335.42 g/mol
LogP1.84
Rot. Bonds6

About 4-[[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide

4-[[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide (PubChem CID 98348179) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 4-[[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide
PubChem CID98348179
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name4-[[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide
SMILESCN(C)[C@@H](C(=O)NCC1CCC(C(N)=O)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H26FN3O2/c1-22(2)16(13-7-9-15(19)10-8-13)18(24)21-11-12-3-5-14(6-4-12)17(20)23/h7-10,12,14,16H,3-6,11H2,1-2H3,(H2,20,23)(H,21,24)/t12?,14?,16-/m1/s1
InChIKeyUZTDMAPMJAIAST-LDZOIKDWSA-N
XLogP1.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide
CID 98309633
(2R)-N-(cyclohexylmethyl)-2-(dimethylamino)-2-phenylacetamide
CID 100566223
2-(dimethylamino)-2-(4-fluorophenyl)-N-(oxan-4-yl)acetamide
CID 72878854
(2S)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 97189861
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 97197887
2-(dimethylamino)-2-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 72839369
N-(cyclopropylmethyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81348477
(2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide
CID 97190654
2-[3-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]propanoylamino]acetic acid
CID 72842259
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide
CID 97202386
N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-3,3-dimethylbutanamide
CID 66994456
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide
CID 61043138

Frequently Asked Questions

What is the IUPAC name of 4-[[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide (CID 98348179) is 4-[[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide is CN(C)[C@@H](C(=O)NCC1CCC(C(N)=O)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-[[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide?
The InChIKey is UZTDMAPMJAIAST-LDZOIKDWSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-22(2)16(13-7-9-15(19)10-8-13)18(24)21-11-12-3-5-14(6-4-12)17(20)23/h7-10,12,14,16H,3-6,11H2,1-2H3,(H2,20,23)(H,21,24)/t12?,14?,16-/m1/s1.
What are the key properties of 4-[[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide?
4-[[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide has a molecular weight of 335.42 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 98348179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).