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

C22H28FNO3 — CID 99951781

IUPAC(2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccc(OC(C)C)cc1
InChIInChI=1S/C22H28FNO3/c1-4-21(27-20-13-9-18(23)10-14-20)22(25)24-15-5-6-17-7-11-19(12-8-17)26-16(2)3/h7-14,16,21H,4-6,15H2,1-3H3,(H,24,25)/t21-/m0/s1
InChIKeySYFPBDQPDZOUFV-NRFANRHFSA-N
MW373.47 g/mol
LogP4.52
Rot. Bonds10

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

(2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide (PubChem CID 99951781) has the molecular formula C22H28FNO3 and a molecular weight of 373.47 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
PubChem CID99951781
Molecular FormulaC22H28FNO3
Molecular Weight373.47 g/mol
Exact Mass373.21
IUPAC Name(2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccc(OC(C)C)cc1
InChIInChI=1S/C22H28FNO3/c1-4-21(27-20-13-9-18(23)10-14-20)22(25)24-15-5-6-17-7-11-19(12-8-17)26-16(2)3/h7-14,16,21H,4-6,15H2,1-3H3,(H,24,25)/t21-/m0/s1
InChIKeySYFPBDQPDZOUFV-NRFANRHFSA-N
XLogP4.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 54.52
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

(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide
CID 99952431
2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 132654154
(2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 94012280
2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 46771830
(2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 92683031
(2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 92676986
N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide
CID 132652633
2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide
CID 132658170
(2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 99954339
(2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide
CID 99952368
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide
CID 132653717
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide
CID 132655794

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide (CID 99951781) is (2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide is CC[C@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccc(OC(C)C)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide?
The InChIKey is SYFPBDQPDZOUFV-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28FNO3/c1-4-21(27-20-13-9-18(23)10-14-20)22(25)24-15-5-6-17-7-11-19(12-8-17)26-16(2)3/h7-14,16,21H,4-6,15H2,1-3H3,(H,24,25)/t21-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide?
(2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide has a molecular weight of 373.47 g/mol, XLogP of 4.52, 10 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-(4-propan-2-yloxyphenyl)propyl]butanamide is sourced from PubChem (CID 99951781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).