N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)pentanamide

C22H29FN2O2 — CID 110302068

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)pentanamide
SMILESCOc1ccc(C(CNC(=O)CCCCc2ccc(F)cc2)N(C)C)cc1
InChIInChI=1S/C22H29FN2O2/c1-25(2)21(18-10-14-20(27-3)15-11-18)16-24-22(26)7-5-4-6-17-8-12-19(23)13-9-17/h8-15,21H,4-7,16H2,1-3H3,(H,24,26)
InChIKeyUVWZCIHEWIMEME-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.97
Rot. Bonds10

About N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)pentanamide

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)pentanamide (PubChem CID 110302068) has the molecular formula C22H29FN2O2 and a molecular weight of 372.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)pentanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)pentanamide
PubChem CID110302068
Molecular FormulaC22H29FN2O2
Molecular Weight372.48 g/mol
Exact Mass372.22
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)pentanamide
SMILESCOc1ccc(C(CNC(=O)CCCCc2ccc(F)cc2)N(C)C)cc1
InChIInChI=1S/C22H29FN2O2/c1-25(2)21(18-10-14-20(27-3)15-11-18)16-24-22(26)7-5-4-6-17-8-12-19(23)13-9-17/h8-15,21H,4-7,16H2,1-3H3,(H,24,26)
InChIKeyUVWZCIHEWIMEME-UHFFFAOYSA-N
XLogP3.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001828
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pentanamide
CID 110297832
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 43017141
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine
CID 111229197
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 43035256
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001623
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 134057068
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide
CID 43035568
N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 39835204
N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-4-(4-methylphenyl)butanamide
CID 110302842

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)pentanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)pentanamide (CID 110302068) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)pentanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)pentanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)pentanamide is COc1ccc(C(CNC(=O)CCCCc2ccc(F)cc2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)pentanamide?
The InChIKey is UVWZCIHEWIMEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O2/c1-25(2)21(18-10-14-20(27-3)15-11-18)16-24-22(26)7-5-4-6-17-8-12-19(23)13-9-17/h8-15,21H,4-7,16H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)pentanamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)pentanamide has a molecular weight of 372.48 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)pentanamide is sourced from PubChem (CID 110302068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).