N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide

C14H21FN2O2 — CID 119582440

IUPACN-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide
SMILESCC(CN)N(C)C(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2/c1-11(10-16)17(2)14(18)4-3-9-19-13-7-5-12(15)6-8-13/h5-8,11H,3-4,9-10,16H2,1-2H3
InChIKeyXTLHGWSZPKSQOW-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.79
Rot. Bonds7

About N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide

N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide (PubChem CID 119582440) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide
PubChem CID119582440
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC NameN-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide
SMILESCC(CN)N(C)C(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2/c1-11(10-16)17(2)14(18)4-3-9-19-13-7-5-12(15)6-8-13/h5-8,11H,3-4,9-10,16H2,1-2H3
InChIKeyXTLHGWSZPKSQOW-UHFFFAOYSA-N
XLogP1.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
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-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide
CID 119581308
2-[4-(4-fluorophenoxy)butanoyl-methylamino]propanoic acid
CID 62628008
N-(1-aminopropan-2-yl)-4-(2,4-difluorophenoxy)-N-methylbutanamide;hydrochloride
CID 119581560
N-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride
CID 119584118
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119582078
N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119585067
N-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide
CID 119584005
N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide
CID 110487595
N-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
CID 119585043
N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 115733563
4-(4-methoxyphenoxy)-N-methyl-N-propan-2-ylbutanamide
CID 86920290
N-(1-aminopropan-2-yl)-4-(2,3-dichlorophenoxy)-N-methylbutanamide;hydrochloride
CID 119584124

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide?
The IUPAC name of N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide (CID 119582440) is N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide is CC(CN)N(C)C(=O)CCCOc1ccc(F)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide?
The InChIKey is XTLHGWSZPKSQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-11(10-16)17(2)14(18)4-3-9-19-13-7-5-12(15)6-8-13/h5-8,11H,3-4,9-10,16H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide?
N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide has a molecular weight of 268.33 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide is sourced from PubChem (CID 119582440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).