N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(4-fluorophenoxy)butanamide

C20H25FN2O2 — CID 46536237

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(4-fluorophenoxy)butanamide
SMILESCN(C)Cc1ccc(CNC(=O)CCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C20H25FN2O2/c1-23(2)15-17-7-5-16(6-8-17)14-22-20(24)4-3-13-25-19-11-9-18(21)10-12-19/h5-12H,3-4,13-15H2,1-2H3,(H,22,24)
InChIKeyGMMYIJHPVIEIOU-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.36
Rot. Bonds9

About N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(4-fluorophenoxy)butanamide

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(4-fluorophenoxy)butanamide (PubChem CID 46536237) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(4-fluorophenoxy)butanamide
PubChem CID46536237
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(4-fluorophenoxy)butanamide
SMILESCN(C)Cc1ccc(CNC(=O)CCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C20H25FN2O2/c1-23(2)15-17-7-5-16(6-8-17)14-22-20(24)4-3-13-25-19-11-9-18(21)10-12-19/h5-12H,3-4,13-15H2,1-2H3,(H,22,24)
InChIKeyGMMYIJHPVIEIOU-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.36
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-[[4-[(dimethylamino)methyl]phenyl]methyl]pentanamide
CID 78810655
4-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]butanamide
CID 119877301
4-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]butanamide
CID 9304132
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide
CID 60724885
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 31544702
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide
CID 9012519
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-methoxyphenoxy)propanamide
CID 27332548
2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide
CID 83332704
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide
CID 9194458
4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2677349
N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide
CID 60724760

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(4-fluorophenoxy)butanamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(4-fluorophenoxy)butanamide (CID 46536237) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(4-fluorophenoxy)butanamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(4-fluorophenoxy)butanamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(4-fluorophenoxy)butanamide is CN(C)Cc1ccc(CNC(=O)CCCOc2ccc(F)cc2)cc1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(4-fluorophenoxy)butanamide?
The InChIKey is GMMYIJHPVIEIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-23(2)15-17-7-5-16(6-8-17)14-22-20(24)4-3-13-25-19-11-9-18(21)10-12-19/h5-12H,3-4,13-15H2,1-2H3,(H,22,24).
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(4-fluorophenoxy)butanamide?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(4-fluorophenoxy)butanamide has a molecular weight of 344.43 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 46536237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).