(2R)-2-ethoxy-4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide

C24H32FNO4 — CID 142673411

IUPAC(2R)-2-ethoxy-4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide
SMILESCCO[C@H](CCc1ccc(F)cc1)C(=O)NCCc1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C24H32FNO4/c1-5-29-22(13-8-18-6-10-20(25)11-7-18)24(27)26-15-14-19-9-12-21(30-17(2)3)23(16-19)28-4/h6-7,9-12,16-17,22H,5,8,13-15H2,1-4H3,(H,26,27)/t22-/m1/s1
InChIKeyMGQIDZJRUGPQEW-JOCHJYFZSA-N
MW417.52 g/mol
LogP4.32
Rot. Bonds12

About (2R)-2-ethoxy-4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide

(2R)-2-ethoxy-4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide (PubChem CID 142673411) has the molecular formula C24H32FNO4 and a molecular weight of 417.52 g/mol. Its IUPAC name is (2R)-2-ethoxy-4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-ethoxy-4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide
PubChem CID142673411
Molecular FormulaC24H32FNO4
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name(2R)-2-ethoxy-4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide
SMILESCCO[C@H](CCc1ccc(F)cc1)C(=O)NCCc1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C24H32FNO4/c1-5-29-22(13-8-18-6-10-20(25)11-7-18)24(27)26-15-14-19-9-12-21(30-17(2)3)23(16-19)28-4/h6-7,9-12,16-17,22H,5,8,13-15H2,1-4H3,(H,26,27)/t22-/m1/s1
InChIKeyMGQIDZJRUGPQEW-JOCHJYFZSA-N
XLogP4.32
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxybutanamide
CID 142673515
(2R)-2-ethoxy-4-(4-fluorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide
CID 87258667
(2S)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-phenylbutanamide
CID 142673511
(2S)-3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 142673508
(2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide
CID 142673521
(2R)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide
CID 142673517
(2S)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 142673381
2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(4-methylphenyl)butanamide
CID 142673464
(2S)-4-(4-fluorophenyl)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide
CID 87258695
(2R)-3-(4-ethylphenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide
CID 142673473
(2S)-3-(4-ethylphenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxypropanamide
CID 142673512
(2R)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide
CID 142673497

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide?
The IUPAC name of (2R)-2-ethoxy-4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide (CID 142673411) is (2R)-2-ethoxy-4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide.
What is the SMILES notation for (2R)-2-ethoxy-4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide?
The canonical SMILES for (2R)-2-ethoxy-4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide is CCO[C@H](CCc1ccc(F)cc1)C(=O)NCCc1ccc(OC(C)C)c(OC)c1.
What is the InChIKey of (2R)-2-ethoxy-4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide?
The InChIKey is MGQIDZJRUGPQEW-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H32FNO4/c1-5-29-22(13-8-18-6-10-20(25)11-7-18)24(27)26-15-14-19-9-12-21(30-17(2)3)23(16-19)28-4/h6-7,9-12,16-17,22H,5,8,13-15H2,1-4H3,(H,26,27)/t22-/m1/s1.
What are the key properties of (2R)-2-ethoxy-4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide?
(2R)-2-ethoxy-4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide has a molecular weight of 417.52 g/mol, XLogP of 4.32, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide is sourced from PubChem (CID 142673411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).