(2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide

C20H24FNO3 — CID 99954339

IUPAC(2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccccc1OC
InChIInChI=1S/C20H24FNO3/c1-3-18(25-17-12-10-16(21)11-13-17)20(23)22-14-6-8-15-7-4-5-9-19(15)24-2/h4-5,7,9-13,18H,3,6,8,14H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyAYTVSEOPMCXNQZ-SFHVURJKSA-N
MW345.41 g/mol
LogP3.74
Rot. Bonds9

About (2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide

(2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide (PubChem CID 99954339) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
PubChem CID99954339
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name(2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccccc1OC
InChIInChI=1S/C20H24FNO3/c1-3-18(25-17-12-10-16(21)11-13-17)20(23)22-14-6-8-15-7-4-5-9-19(15)24-2/h4-5,7,9-13,18H,3,6,8,14H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyAYTVSEOPMCXNQZ-SFHVURJKSA-N
XLogP3.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.74
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-(2-methoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide
CID 132652282
(2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 94015813
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 92673251
2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 132653883
(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide
CID 99952431
N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide
CID 132652633
(2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide
CID 99952368
(2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 99951781
2-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 43003184
(2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 92683031
(2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 94012280
(2R)-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 35343501

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide (CID 99954339) is (2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide is CC[C@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccccc1OC.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide?
The InChIKey is AYTVSEOPMCXNQZ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-3-18(25-17-12-10-16(21)11-13-17)20(23)22-14-6-8-15-7-4-5-9-19(15)24-2/h4-5,7,9-13,18H,3,6,8,14H2,1-2H3,(H,22,23)/t18-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide?
(2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide has a molecular weight of 345.41 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide is sourced from PubChem (CID 99954339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).