N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide

C17H27FN2O — CID 119605825

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide
SMILESCC(CCc1cccc(F)c1)C(=O)NC(C)(CN)C(C)C
InChIInChI=1S/C17H27FN2O/c1-12(2)17(4,11-19)20-16(21)13(3)8-9-14-6-5-7-15(18)10-14/h5-7,10,12-13H,8-9,11,19H2,1-4H3,(H,20,21)
InChIKeySPNBCWFIMVGTMA-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.88
Rot. Bonds7

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide (PubChem CID 119605825) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide
PubChem CID119605825
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide
SMILESCC(CCc1cccc(F)c1)C(=O)NC(C)(CN)C(C)C
InChIInChI=1S/C17H27FN2O/c1-12(2)17(4,11-19)20-16(21)13(3)8-9-14-6-5-7-15(18)10-14/h5-7,10,12-13H,8-9,11,19H2,1-4H3,(H,20,21)
InChIKeySPNBCWFIMVGTMA-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119607062
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119608606
N-(3-aminopropyl)-4-(3-fluorophenyl)-2-methylbutanamide
CID 119405222
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride
CID 119605448
N-(1-amino-4-methylpentan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119585743
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
CID 119606341
4-[[[4-(3-fluorophenyl)-2-methylbutanoyl]amino]methyl]benzoic acid
CID 119165629
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507
N-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119600994
(2S)-2-[[4-(3-fluorophenyl)-2-methylbutanoyl]amino]-3-phenylpropanoic acid
CID 119366770
N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-2-methylbutanamide
CID 120652249
4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylbutanamide
CID 111477260

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide (CID 119605825) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide is CC(CCc1cccc(F)c1)C(=O)NC(C)(CN)C(C)C.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide?
The InChIKey is SPNBCWFIMVGTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-12(2)17(4,11-19)20-16(21)13(3)8-9-14-6-5-7-15(18)10-14/h5-7,10,12-13H,8-9,11,19H2,1-4H3,(H,20,21).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide has a molecular weight of 294.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide is sourced from PubChem (CID 119605825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).