N-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide

C16H25FN2O2 — CID 119587842

IUPACN-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide
SMILESCC(C)CC(CN)NC(=O)CCCOc1ccccc1F
InChIInChI=1S/C16H25FN2O2/c1-12(2)10-13(11-18)19-16(20)8-5-9-21-15-7-4-3-6-14(15)17/h3-4,6-7,12-13H,5,8-11,18H2,1-2H3,(H,19,20)
InChIKeyHCKKBVKYNWNUOV-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.47
Rot. Bonds9

About N-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide

N-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide (PubChem CID 119587842) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide
PubChem CID119587842
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide
SMILESCC(C)CC(CN)NC(=O)CCCOc1ccccc1F
InChIInChI=1S/C16H25FN2O2/c1-12(2)10-13(11-18)19-16(20)8-5-9-21-15-7-4-3-6-14(15)17/h3-4,6-7,12-13H,5,8-11,18H2,1-2H3,(H,19,20)
InChIKeyHCKKBVKYNWNUOV-UHFFFAOYSA-N
XLogP2.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
CID 119588775
4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110466153
methyl 2-[3-(2-fluorophenoxy)propanoylamino]propanoate
CID 60638002
N-(1-amino-4-methylpentan-2-yl)-3-(2,3-difluorophenyl)propanamide
CID 119585666
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-4-methylpentanamide
CID 110482461
(2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid
CID 54990985
N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)acetamide
CID 119587183
N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide
CID 120507806
N-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 119587580
N-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride
CID 119584118
N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride
CID 119587847
N-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide
CID 119667552

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide (CID 119587842) is N-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide is CC(C)CC(CN)NC(=O)CCCOc1ccccc1F.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide?
The InChIKey is HCKKBVKYNWNUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-12(2)10-13(11-18)19-16(20)8-5-9-21-15-7-4-3-6-14(15)17/h3-4,6-7,12-13H,5,8-11,18H2,1-2H3,(H,19,20).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide?
N-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide has a molecular weight of 296.39 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide is sourced from PubChem (CID 119587842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).