(2S)-N-cyclopentyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-propylacetamide

C18H27FN2O — CID 97205289

IUPAC(2S)-N-cyclopentyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-propylacetamide
SMILESCCCN(C(=O)[C@H](c1ccc(F)cc1)N(C)C)C1CCCC1
InChIInChI=1S/C18H27FN2O/c1-4-13-21(16-7-5-6-8-16)18(22)17(20(2)3)14-9-11-15(19)12-10-14/h9-12,16-17H,4-8,13H2,1-3H3/t17-/m0/s1
InChIKeyKJCXLIMMUMVFIF-KRWDZBQOSA-N
MW306.42 g/mol
LogP3.61
Rot. Bonds6

About (2S)-N-cyclopentyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-propylacetamide

(2S)-N-cyclopentyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-propylacetamide (PubChem CID 97205289) has the molecular formula C18H27FN2O and a molecular weight of 306.42 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-propylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-propylacetamide
PubChem CID97205289
Molecular FormulaC18H27FN2O
Molecular Weight306.42 g/mol
Exact Mass306.21
IUPAC Name(2S)-N-cyclopentyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-propylacetamide
SMILESCCCN(C(=O)[C@H](c1ccc(F)cc1)N(C)C)C1CCCC1
InChIInChI=1S/C18H27FN2O/c1-4-13-21(16-7-5-6-8-16)18(22)17(20(2)3)14-9-11-15(19)12-10-14/h9-12,16-17H,4-8,13H2,1-3H3/t17-/m0/s1
InChIKeyKJCXLIMMUMVFIF-KRWDZBQOSA-N
XLogP3.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 97201502
(2R)-N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-propylacetamide
CID 97282177
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide
CID 78853629
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methylacetamide
CID 75592105
2-amino-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]pentanamide;hydrochloride
CID 119345192
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methylacetamide
CID 97201308
2-[(2-chloroacetyl)-propylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 4688308
3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol
CID 62643359
3-(4-fluorophenyl)sulfanyl-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530613
2-(3-fluorophenyl)-N-piperidin-4-yl-N-propylpropanamide
CID 119823341
2-(4-fluorophenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60805878
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide
CID 97202386

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-propylacetamide?
The IUPAC name of (2S)-N-cyclopentyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-propylacetamide (CID 97205289) is (2S)-N-cyclopentyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-propylacetamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-propylacetamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-propylacetamide is CCCN(C(=O)[C@H](c1ccc(F)cc1)N(C)C)C1CCCC1.
What is the InChIKey of (2S)-N-cyclopentyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-propylacetamide?
The InChIKey is KJCXLIMMUMVFIF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-4-13-21(16-7-5-6-8-16)18(22)17(20(2)3)14-9-11-15(19)12-10-14/h9-12,16-17H,4-8,13H2,1-3H3/t17-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-propylacetamide?
(2S)-N-cyclopentyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-propylacetamide has a molecular weight of 306.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-propylacetamide is sourced from PubChem (CID 97205289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).