(2R)-4-(4-fluorophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide

C22H24FNO4 — CID 87258583

IUPAC(2R)-4-(4-fluorophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide
SMILESC#CCOc1ccc(CCNC(=O)[C@H](O)CCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C22H24FNO4/c1-3-14-28-20-11-7-17(15-21(20)27-2)12-13-24-22(26)19(25)10-6-16-4-8-18(23)9-5-16/h1,4-5,7-9,11,15,19,25H,6,10,12-14H2,2H3,(H,24,26)/t19-/m1/s1
InChIKeyICXIHCFPGXFIDM-LJQANCHMSA-N
MW385.44 g/mol
LogP2.50
Rot. Bonds10

About (2R)-4-(4-fluorophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide

(2R)-4-(4-fluorophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide (PubChem CID 87258583) has the molecular formula C22H24FNO4 and a molecular weight of 385.44 g/mol. Its IUPAC name is (2R)-4-(4-fluorophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-4-(4-fluorophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide
PubChem CID87258583
Molecular FormulaC22H24FNO4
Molecular Weight385.44 g/mol
Exact Mass385.17
IUPAC Name(2R)-4-(4-fluorophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide
SMILESC#CCOc1ccc(CCNC(=O)[C@H](O)CCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C22H24FNO4/c1-3-14-28-20-11-7-17(15-21(20)27-2)12-13-24-22(26)19(25)10-6-16-4-8-18(23)9-5-16/h1,4-5,7-9,11,15,19,25H,6,10,12-14H2,2H3,(H,24,26)/t19-/m1/s1
InChIKeyICXIHCFPGXFIDM-LJQANCHMSA-N
XLogP2.50
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-(4-fluorophenyl)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide
CID 87258695
(2R)-2-ethoxy-4-(4-fluorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide
CID 87258667
3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 87258575
(2S)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-4-phenylbutanamide
CID 87258743
(2S)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-phenylmethoxypropanamide
CID 87258737
2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-phenylsulfanylpropanamide
CID 87258547
3-(4-chlorophenoxy)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 11750051
(2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide
CID 87258708
2-(3,4-dimethoxyphenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-oxoacetamide
CID 18412065
2-ethoxy-2-(4-fluorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-sulfanylacetamide
CID 87905824
N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-phenyl-2-prop-2-ynoxypropanamide
CID 87498828
(2R)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-(4-methylphenyl)-2-prop-2-ynoxypropanamide
CID 87498581

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-fluorophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide?
The IUPAC name of (2R)-4-(4-fluorophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide (CID 87258583) is (2R)-4-(4-fluorophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide.
What is the SMILES notation for (2R)-4-(4-fluorophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide?
The canonical SMILES for (2R)-4-(4-fluorophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide is C#CCOc1ccc(CCNC(=O)[C@H](O)CCc2ccc(F)cc2)cc1OC.
What is the InChIKey of (2R)-4-(4-fluorophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide?
The InChIKey is ICXIHCFPGXFIDM-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24FNO4/c1-3-14-28-20-11-7-17(15-21(20)27-2)12-13-24-22(26)19(25)10-6-16-4-8-18(23)9-5-16/h1,4-5,7-9,11,15,19,25H,6,10,12-14H2,2H3,(H,24,26)/t19-/m1/s1.
What are the key properties of (2R)-4-(4-fluorophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide?
(2R)-4-(4-fluorophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide has a molecular weight of 385.44 g/mol, XLogP of 2.50, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-fluorophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 87258583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).