N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide

C17H27FN2O — CID 119659701

IUPACN-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide
SMILESCC(Cc1cccc(F)c1)C(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C17H27FN2O/c1-12(2)16(19)8-9-20(4)17(21)13(3)10-14-6-5-7-15(18)11-14/h5-7,11-13,16H,8-10,19H2,1-4H3
InChIKeyQPRQUWSWQYSZOE-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.84
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide

N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide (PubChem CID 119659701) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide
PubChem CID119659701
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC NameN-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide
SMILESCC(Cc1cccc(F)c1)C(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C17H27FN2O/c1-12(2)16(19)8-9-20(4)17(21)13(3)10-14-6-5-7-15(18)11-14/h5-7,11-13,16H,8-10,19H2,1-4H3
InChIKeyQPRQUWSWQYSZOE-UHFFFAOYSA-N
XLogP2.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide;hydrochloride
CID 119659700
N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide
CID 81484058
N-(3-amino-4-methylpentyl)-2-(2-bromo-4-fluorophenoxy)-N-methylpropanamide
CID 119659098
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
CID 119658393
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
N-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride
CID 170898691
N-(3-amino-4-methylpentyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 119657415
3-(3-fluorophenyl)-N,2-dimethyl-N-piperidin-4-ylpropanamide
CID 119443185
(2S)-3-(3-fluorophenyl)-N,2-dimethyl-N-naphthalen-2-ylpropanamide
CID 97020341
3-[[3-(3-fluorophenyl)-2-methylpropanoyl]-(2-methylpropyl)amino]propanoic acid
CID 119190319
N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride
CID 119657234

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide (CID 119659701) is N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide is CC(Cc1cccc(F)c1)C(=O)N(C)CCC(N)C(C)C.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide?
The InChIKey is QPRQUWSWQYSZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-12(2)16(19)8-9-20(4)17(21)13(3)10-14-6-5-7-15(18)11-14/h5-7,11-13,16H,8-10,19H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide?
N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide has a molecular weight of 294.41 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 119659701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).