(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methylacetamide

C18H27FN2O2 — CID 97201308

IUPAC(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methylacetamide
SMILESCN(CCC1(O)CCCC1)C(=O)[C@H](c1ccc(F)cc1)N(C)C
InChIInChI=1S/C18H27FN2O2/c1-20(2)16(14-6-8-15(19)9-7-14)17(22)21(3)13-12-18(23)10-4-5-11-18/h6-9,16,23H,4-5,10-13H2,1-3H3/t16-/m0/s1
InChIKeyOMPIZATVWJETJD-INIZCTEOSA-N
MW322.42 g/mol
LogP2.58
Rot. Bonds6

About (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methylacetamide

(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methylacetamide (PubChem CID 97201308) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methylacetamide
PubChem CID97201308
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methylacetamide
SMILESCN(CCC1(O)CCCC1)C(=O)[C@H](c1ccc(F)cc1)N(C)C
InChIInChI=1S/C18H27FN2O2/c1-20(2)16(14-6-8-15(19)9-7-14)17(22)21(3)13-12-18(23)10-4-5-11-18/h6-9,16,23H,4-5,10-13H2,1-3H3/t16-/m0/s1
InChIKeyOMPIZATVWJETJD-INIZCTEOSA-N
XLogP2.58
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-2-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 72892390
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide
CID 97202386
(2S)-N-cyclopentyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-propylacetamide
CID 97205289
(2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide
CID 97190654
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylacetamide
CID 97191743
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methylacetamide
CID 75592105
2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
CID 50967991
1-[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]-N-methylcyclohexane-1-carboxamide
CID 97203905
2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]butanamide
CID 110427438
(2R)-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-(dimethylamino)-2-(4-fluorophenyl)-N-methylacetamide
CID 92606011
1-[2-[(2-chloro-4-fluorophenyl)methyl-methylamino]ethyl]cyclopentan-1-ol
CID 77090783
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 96579384

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methylacetamide?
The IUPAC name of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methylacetamide (CID 97201308) is (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methylacetamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methylacetamide?
The canonical SMILES for (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methylacetamide is CN(CCC1(O)CCCC1)C(=O)[C@H](c1ccc(F)cc1)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methylacetamide?
The InChIKey is OMPIZATVWJETJD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-20(2)16(14-6-8-15(19)9-7-14)17(22)21(3)13-12-18(23)10-4-5-11-18/h6-9,16,23H,4-5,10-13H2,1-3H3/t16-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methylacetamide?
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methylacetamide has a molecular weight of 322.42 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 97201308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).