N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide

C15H24FN3O — CID 119896354

IUPACN-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCCN(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FN3O/c1-17-9-3-4-15(20)18-10-11-19(2)12-13-5-7-14(16)8-6-13/h5-8,17H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyQSNGTLIDCQRTAF-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.37
Rot. Bonds9

About N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide

N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide (PubChem CID 119896354) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide
PubChem CID119896354
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC NameN-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCCN(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FN3O/c1-17-9-3-4-15(20)18-10-11-19(2)12-13-5-7-14(16)8-6-13/h5-8,17H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyQSNGTLIDCQRTAF-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
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-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119675755
N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 61413181
2-amino-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]acetamide;dihydrochloride
CID 119896383
N-[2-[ethyl(methyl)amino]ethyl]-4-(methylamino)butanamide
CID 62641683
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide
CID 119430306
N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide
CID 60841312
N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119739080
N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
CID 94913793
N-[2-[benzyl(methyl)amino]ethyl]-4-[4-[(2-methylphenyl)methyl]phenyl]butanamide
CID 166850502
N-[[4-(dimethylamino)phenyl]methyl]-4-(methylamino)butanamide
CID 61248604
N-[(3,4-difluorophenyl)methyl]-4-(methylamino)butanamide
CID 54966098
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 111751267

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide (CID 119896354) is N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide is CNCCCC(=O)NCCN(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide?
The InChIKey is QSNGTLIDCQRTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-17-9-3-4-15(20)18-10-11-19(2)12-13-5-7-14(16)8-6-13/h5-8,17H,3-4,9-12H2,1-2H3,(H,18,20).
What are the key properties of N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide?
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide has a molecular weight of 281.38 g/mol, XLogP of 1.37, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119896354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).