N-(3-amino-4-methylpentyl)-2-(2-fluorophenoxy)-N-methylbutanamide

C17H27FN2O2 — CID 119661444

IUPACN-(3-amino-4-methylpentyl)-2-(2-fluorophenoxy)-N-methylbutanamide
SMILESCCC(Oc1ccccc1F)C(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C17H27FN2O2/c1-5-15(22-16-9-7-6-8-13(16)18)17(21)20(4)11-10-14(19)12(2)3/h6-9,12,14-15H,5,10-11,19H2,1-4H3
InChIKeyBGQBVIILEYPBMJ-UHFFFAOYSA-N
MW310.41 g/mol
LogP2.81
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-2-(2-fluorophenoxy)-N-methylbutanamide

N-(3-amino-4-methylpentyl)-2-(2-fluorophenoxy)-N-methylbutanamide (PubChem CID 119661444) has the molecular formula C17H27FN2O2 and a molecular weight of 310.41 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-(2-fluorophenoxy)-N-methylbutanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-(2-fluorophenoxy)-N-methylbutanamide
PubChem CID119661444
Molecular FormulaC17H27FN2O2
Molecular Weight310.41 g/mol
Exact Mass310.21
IUPAC NameN-(3-amino-4-methylpentyl)-2-(2-fluorophenoxy)-N-methylbutanamide
SMILESCCC(Oc1ccccc1F)C(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C17H27FN2O2/c1-5-15(22-16-9-7-6-8-13(16)18)17(21)20(4)11-10-14(19)12(2)3/h6-9,12,14-15H,5,10-11,19H2,1-4H3
InChIKeyBGQBVIILEYPBMJ-UHFFFAOYSA-N
XLogP2.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide
CID 81484058
2-(2-fluorophenoxy)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 71980223
3-[2-(2-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989857
N-(3-amino-4-methylpentyl)-2-(2-bromo-4-fluorophenoxy)-N-methylpropanamide
CID 119659098
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride
CID 119274507
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
N-(3-amino-4-methylpentyl)-2-[2-(difluoromethoxy)phenyl]-N-methylacetamide
CID 119659145
N-(3-amino-4-methylpentyl)-N-methyl-3-propan-2-yloxypyridine-2-carboxamide
CID 119659840
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368342
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368341
N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
CID 119658393

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-(2-fluorophenoxy)-N-methylbutanamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-(2-fluorophenoxy)-N-methylbutanamide (CID 119661444) is N-(3-amino-4-methylpentyl)-2-(2-fluorophenoxy)-N-methylbutanamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-(2-fluorophenoxy)-N-methylbutanamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-(2-fluorophenoxy)-N-methylbutanamide is CCC(Oc1ccccc1F)C(=O)N(C)CCC(N)C(C)C.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-(2-fluorophenoxy)-N-methylbutanamide?
The InChIKey is BGQBVIILEYPBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O2/c1-5-15(22-16-9-7-6-8-13(16)18)17(21)20(4)11-10-14(19)12(2)3/h6-9,12,14-15H,5,10-11,19H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-2-(2-fluorophenoxy)-N-methylbutanamide?
N-(3-amino-4-methylpentyl)-2-(2-fluorophenoxy)-N-methylbutanamide has a molecular weight of 310.41 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2-(2-fluorophenoxy)-N-methylbutanamide is sourced from PubChem (CID 119661444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).