N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide

C15H23FN2O — CID 119997569

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

About N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide

N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide (PubChem CID 119997569) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide
PubChem CID119997569
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide
SMILESCC(CN)CNC(=O)CC(C)Cc1cccc(F)c1
InChIInChI=1S/C15H23FN2O/c1-11(6-13-4-3-5-14(16)8-13)7-15(19)18-10-12(2)9-17/h3-5,8,11-12H,6-7,9-10,17H2,1-2H3,(H,18,19)
InChIKeyLMSSEWFBZVNGNW-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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
2-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]acetic acid
CID 119350465
N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119499131
(3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide
CID 95903648
N-(1-amino-2-methylpropan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119524696
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119608606
4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide
CID 111542772
3-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]butanoic acid
CID 119347966
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119599995
N-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-3-methylbutanamide
CID 119604718
N-(3-amino-2-methylpropyl)-3-(2-fluorophenyl)butanamide
CID 119995472
4-(3-fluorophenyl)-N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]-3-methylbutanamide
CID 126808780

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide (CID 119997569) is N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide is CC(CN)CNC(=O)CC(C)Cc1cccc(F)c1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide?
The InChIKey is LMSSEWFBZVNGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(6-13-4-3-5-14(16)8-13)7-15(19)18-10-12(2)9-17/h3-5,8,11-12H,6-7,9-10,17H2,1-2H3,(H,18,19).
What are the key properties of N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide?
N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide has a molecular weight of 266.36 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide is sourced from PubChem (CID 119997569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).