(2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide

C20H32FN3O — CID 97190654

IUPAC(2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide
SMILESCN(C)[C@H](C(=O)NCC1(N(C)C)CCCCCC1)c1ccc(F)cc1
InChIInChI=1S/C20H32FN3O/c1-23(2)18(16-9-11-17(21)12-10-16)19(25)22-15-20(24(3)4)13-7-5-6-8-14-20/h9-12,18H,5-8,13-15H2,1-4H3,(H,22,25)/t18-/m0/s1
InChIKeySYSLRSGODKOTND-SFHVURJKSA-N
MW349.49 g/mol
LogP3.20
Rot. Bonds6

About (2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide

(2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide (PubChem CID 97190654) has the molecular formula C20H32FN3O and a molecular weight of 349.49 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide
PubChem CID97190654
Molecular FormulaC20H32FN3O
Molecular Weight349.49 g/mol
Exact Mass349.25
IUPAC Name(2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide
SMILESCN(C)[C@H](C(=O)NCC1(N(C)C)CCCCCC1)c1ccc(F)cc1
InChIInChI=1S/C20H32FN3O/c1-23(2)18(16-9-11-17(21)12-10-16)19(25)22-15-20(24(3)4)13-7-5-6-8-14-20/h9-12,18H,5-8,13-15H2,1-4H3,(H,22,25)/t18-/m0/s1
InChIKeySYSLRSGODKOTND-SFHVURJKSA-N
XLogP3.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 97192526
2-(dimethylamino)-2-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 72892390
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
CID 21409921
1-[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]-N-methylcyclohexane-1-carboxamide
CID 97203905
2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide
CID 72845654
(2S)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide
CID 97110124
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide
CID 71944374
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide
CID 103516127
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666652
(2S)-2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-phenylacetamide
CID 104897629
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide
CID 97202386
2-(dimethylamino)-2-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 72839369

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of (2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide (CID 97190654) is (2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for (2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide is CN(C)[C@H](C(=O)NCC1(N(C)C)CCCCCC1)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is SYSLRSGODKOTND-SFHVURJKSA-N. The full InChI is InChI=1S/C20H32FN3O/c1-23(2)18(16-9-11-17(21)12-10-16)19(25)22-15-20(24(3)4)13-7-5-6-8-14-20/h9-12,18H,5-8,13-15H2,1-4H3,(H,22,25)/t18-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide?
(2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 349.49 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 97190654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).