(2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide

C14H20FNO3 — CID 40747099

IUPAC(2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide
SMILESCC[C@H](Oc1ccccc1F)C(=O)NCCCOC
InChIInChI=1S/C14H20FNO3/c1-3-12(14(17)16-9-6-10-18-2)19-13-8-5-4-7-11(13)15/h4-5,7-8,12H,3,6,9-10H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyKNTDOOHHRLUNOY-LBPRGKRZSA-N
MW269.32 g/mol
LogP2.14
Rot. Bonds8

About (2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide

(2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide (PubChem CID 40747099) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide
PubChem CID40747099
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name(2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide
SMILESCC[C@H](Oc1ccccc1F)C(=O)NCCCOC
InChIInChI=1S/C14H20FNO3/c1-3-12(14(17)16-9-6-10-18-2)19-13-8-5-4-7-11(13)15/h4-5,7-8,12H,3,6,9-10H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyKNTDOOHHRLUNOY-LBPRGKRZSA-N
XLogP2.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.14
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-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119409107
2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119434358
2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133211113
N-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide
CID 133211115
(2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 99817878
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 133211109
(2S)-2-(2-fluorophenoxy)-N-(2-phenylmethoxyethyl)butanamide
CID 99818320
2-(2-fluorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide
CID 53286413
(2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide
CID 40747122
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
(2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 9172862
(2S)-N-butyl-2-(2-methoxyphenoxy)butanamide
CID 40769022

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide?
The IUPAC name of (2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide (CID 40747099) is (2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide.
What is the SMILES notation for (2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide?
The canonical SMILES for (2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide is CC[C@H](Oc1ccccc1F)C(=O)NCCCOC.
What is the InChIKey of (2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide?
The InChIKey is KNTDOOHHRLUNOY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-3-12(14(17)16-9-6-10-18-2)19-13-8-5-4-7-11(13)15/h4-5,7-8,12H,3,6,9-10H2,1-2H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide?
(2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide has a molecular weight of 269.32 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide is sourced from PubChem (CID 40747099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).