3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide

C22H24FNO5 — CID 87258575

IUPAC3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide
SMILESC#CCOc1ccc(CCNC(=O)C(COc2ccc(F)cc2)OC)cc1OC
InChIInChI=1S/C22H24FNO5/c1-4-13-28-19-10-5-16(14-20(19)26-2)11-12-24-22(25)21(27-3)15-29-18-8-6-17(23)7-9-18/h1,5-10,14,21H,11-13,15H2,2-3H3,(H,24,25)
InChIKeySAYKEEBOFLKXRA-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.60
Rot. Bonds11

About 3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide

3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide (PubChem CID 87258575) has the molecular formula C22H24FNO5 and a molecular weight of 401.43 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide
PubChem CID87258575
Molecular FormulaC22H24FNO5
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide
SMILESC#CCOc1ccc(CCNC(=O)C(COc2ccc(F)cc2)OC)cc1OC
InChIInChI=1S/C22H24FNO5/c1-4-13-28-19-10-5-16(14-20(19)26-2)11-12-24-22(25)21(27-3)15-29-18-8-6-17(23)7-9-18/h1,5-10,14,21H,11-13,15H2,2-3H3,(H,24,25)
InChIKeySAYKEEBOFLKXRA-UHFFFAOYSA-N
XLogP2.60
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-(4-ethylphenoxy)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 87258745
(2S)-4-(4-fluorophenyl)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide
CID 87258695
(2R)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-(4-methylphenoxy)-2-prop-2-ynoxypropanamide
CID 87258755
(2S)-3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 142673508
(2R)-4-(4-fluorophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide
CID 87258583
(2R)-2-ethoxy-4-(4-fluorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide
CID 87258667
(2R)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 87258614
(2S)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-4-phenylbutanamide
CID 87258743
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-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-phenylsulfanylpropanamide
CID 87258388
3-(4-chlorophenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-prop-2-ynoxypropanamide
CID 152565118

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide (CID 87258575) is 3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide is C#CCOc1ccc(CCNC(=O)C(COc2ccc(F)cc2)OC)cc1OC.
What is the InChIKey of 3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide?
The InChIKey is SAYKEEBOFLKXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO5/c1-4-13-28-19-10-5-16(14-20(19)26-2)11-12-24-22(25)21(27-3)15-29-18-8-6-17(23)7-9-18/h1,5-10,14,21H,11-13,15H2,2-3H3,(H,24,25).
What are the key properties of 3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide?
3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide has a molecular weight of 401.43 g/mol, XLogP of 2.60, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 87258575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).