N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide

C17H25FN2O — CID 119639919

IUPACN-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C17H25FN2O/c1-3-16(19,4-2)12-20-15(21)17(9-6-10-17)13-7-5-8-14(18)11-13/h5,7-8,11H,3-4,6,9-10,12,19H2,1-2H3,(H,20,21)
InChIKeyAAKDTJKPJBJVQX-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.88
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide

N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide (PubChem CID 119639919) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
PubChem CID119639919
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C17H25FN2O/c1-3-16(19,4-2)12-20-15(21)17(9-6-10-17)13-7-5-8-14(18)11-13/h5,7-8,11H,3-4,6,9-10,12,19H2,1-2H3,(H,20,21)
InChIKeyAAKDTJKPJBJVQX-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethyl-2-hydroxybutyl)-1-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 111483353
N-(2-amino-2-ethylbutyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 119642990
N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119639826
3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249767
N-(2-amino-2-ethylbutyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119643741
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701332
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 112792896
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684
N-[2-[(S)-tert-butylsulfinyl]ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 95623396
1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide (CID 119639919) is N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide is CCC(N)(CC)CNC(=O)C1(c2cccc(F)c2)CCC1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is AAKDTJKPJBJVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-3-16(19,4-2)12-20-15(21)17(9-6-10-17)13-7-5-8-14(18)11-13/h5,7-8,11H,3-4,6,9-10,12,19H2,1-2H3,(H,20,21).
What are the key properties of N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide?
N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 119639919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).