N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide

C15H23FN2O — CID 119499131

IUPACN-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide
SMILESCC(N)CCNC(=O)CC(C)Cc1cccc(F)c1
InChIInChI=1S/C15H23FN2O/c1-11(8-13-4-3-5-14(16)10-13)9-15(19)18-7-6-12(2)17/h3-5,10-12H,6-9,17H2,1-2H3,(H,18,19)
InChIKeyXPASFQSSWLDHKM-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.25
Rot. Bonds7

About N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide

N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide (PubChem CID 119499131) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide
PubChem CID119499131
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide
SMILESCC(N)CCNC(=O)CC(C)Cc1cccc(F)c1
InChIInChI=1S/C15H23FN2O/c1-11(8-13-4-3-5-14(16)10-13)9-15(19)18-7-6-12(2)17/h3-5,10-12H,6-9,17H2,1-2H3,(H,18,19)
InChIKeyXPASFQSSWLDHKM-UHFFFAOYSA-N
XLogP2.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119408534
N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119997569
2-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]acetic acid
CID 119350465
4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide
CID 111542772
(3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide
CID 95903648
3-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]butanoic acid
CID 119347966
5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide
CID 82849123
N-(1-amino-2-methylpropan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119524696
1-(3-aminobutyl)-3-(3-fluorophenyl)urea
CID 63253702
N-(3-aminobutyl)-3-benzyl-4-phenylbutanamide;hydrochloride
CID 119497857
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119608606
N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide
CID 119499708

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide?
The IUPAC name of N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide (CID 119499131) is N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide.
What is the SMILES notation for N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide?
The canonical SMILES for N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide is CC(N)CCNC(=O)CC(C)Cc1cccc(F)c1.
What is the InChIKey of N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide?
The InChIKey is XPASFQSSWLDHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(8-13-4-3-5-14(16)10-13)9-15(19)18-7-6-12(2)17/h3-5,10-12H,6-9,17H2,1-2H3,(H,18,19).
What are the key properties of N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide?
N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide has a molecular weight of 266.36 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide is sourced from PubChem (CID 119499131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).